diff --git a/arkane/data/B2PLYP.LOG b/arkane/data/B2PLYP.LOG
new file mode 100755
index 00000000000..22ba50e9e52
--- /dev/null
+++ b/arkane/data/B2PLYP.LOG
@@ -0,0 +1,453 @@
+ Entering Link 1 = C:\G09W\l1.exe PID=     20588.
+  
+ Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
+            Gaussian, Inc.  All Rights Reserved.
+  
+ This is part of the Gaussian(R) 09 program.  It is based on
+ the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
+ the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
+ the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
+ the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
+ the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
+ the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
+ the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
+ University), and the Gaussian 82(TM) system (copyright 1983,
+ Carnegie Mellon University). Gaussian is a federally registered
+ trademark of Gaussian, Inc.
+  
+ This software contains proprietary and confidential information,
+ including trade secrets, belonging to Gaussian, Inc.
+  
+ This software is provided under written license and may be
+ used, copied, transmitted, or stored only in accord with that
+ written license.
+  
+ The following legend is applicable only to US Government
+ contracts under FAR:
+  
+                    RESTRICTED RIGHTS LEGEND
+  
+ Use, reproduction and disclosure by the US Government is
+ subject to restrictions as set forth in subparagraphs (a)
+ and (c) of the Commercial Computer Software - Restricted
+ Rights clause in FAR 52.227-19.
+  
+ Gaussian, Inc.
+ 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
+  
+  
+ ---------------------------------------------------------------
+ Warning -- This program may not be used in any manner that
+ competes with the business of Gaussian, Inc. or will provide
+ assistance to any competitor of Gaussian, Inc.  The licensee
+ of this program is prohibited from giving any competitor of
+ Gaussian, Inc. access to this program.  By using this program,
+ the user acknowledges that Gaussian, Inc. is engaged in the
+ business of creating and licensing software in the field of
+ computational chemistry and represents and warrants to the
+ licensee that it is not a competitor of Gaussian, Inc. and that
+ it will not use this program in any manner prohibited above.
+ ---------------------------------------------------------------
+  
+
+ Cite this work as:
+ Gaussian 09, Revision D.01,
+ M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
+ M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
+ G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
+ A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
+ M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
+ Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
+ J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
+ K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
+ K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
+ M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
+ V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
+ O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
+ R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
+ P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
+ O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
+ and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
+ 
+ ******************************************
+ Gaussian 09:  IA32W-G09RevD.01 24-Apr-2013
+                07-Nov-2019 
+ ******************************************
+ %chk=C:\Users\drana\Desktop\work\Scratch\G09\MarkG\Energy\G09\b3plyp.chk
+ ---------------------------------
+ #p b2plyp/3-21g geom=connectivity
+ ---------------------------------
+ 1/38=1,57=2/1;
+ 2/12=2,17=6,18=5,40=1/2;
+ 3/5=5,11=9,16=1,25=1,30=1,74=-47/1,2,3;
+ 4//1;
+ 5/5=2,38=5/2;
+ 8/10=1/1;
+ 9/16=-3/6;
+ 6/7=2,8=2,9=2,10=2/1;
+ 99/5=1,9=1/99;
+ Leave Link    1 at Thu Nov 07 11:12:24 2019, MaxMem=           0 cpu:         0.0
+ (Enter C:\G09W\l101.exe)
+ -------------------
+ Title Card Required
+ -------------------
+ Symbolic Z-matrix:
+ Charge =  0 Multiplicity = 1
+ C                     1.29707   0.70607   0. 
+ H                     1.65373  -0.30274   0. 
+ H                     1.65374   1.21047   0.87365 
+ H                     1.65374   1.21047  -0.87365 
+ H                     0.22707   0.70608   0. 
+ 
+ NAtoms=      5 NQM=        5 NQMF=       0 NMMI=      0 NMMIF=      0
+                NMic=       0 NMicF=      0.
+                    Isotopes and Nuclear Properties:
+ (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
+  in nuclear magnetons)
+
+  Atom         1           2           3           4           5
+ IAtWgt=          12           1           1           1           1
+ AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
+ NucSpn=           0           1           1           1           1
+ AtZEff=   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
+ NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
+ NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
+ AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000
+ Leave Link  101 at Thu Nov 07 11:12:24 2019, MaxMem=    33554432 cpu:         0.0
+ (Enter C:\G09W\l202.exe)
+                          Input orientation:                          
+ ---------------------------------------------------------------------
+ Center     Atomic      Atomic             Coordinates (Angstroms)
+ Number     Number       Type             X           Y           Z
+ ---------------------------------------------------------------------
+      1          6           0        1.297071    0.706067    0.000000
+      2          1           0        1.653726   -0.302743    0.000000
+      3          1           0        1.653744    1.210465    0.873652
+      4          1           0        1.653744    1.210465   -0.873652
+      5          1           0        0.227071    0.706080    0.000000
+ ---------------------------------------------------------------------
+                    Distance matrix (angstroms):
+                    1          2          3          4          5
+     1  C    0.000000
+     2  H    1.070000   0.000000
+     3  H    1.070000   1.747302   0.000000
+     4  H    1.070000   1.747302   1.747303   0.000000
+     5  H    1.070000   1.747303   1.747303   1.747303   0.000000
+ Stoichiometry    CH4
+ Framework group  T[O(C),4C3(H)]
+ Deg. of freedom     1
+ Full point group                 T       NOp  12
+ Largest Abelian subgroup         D2      NOp   4
+ Largest concise Abelian subgroup D2      NOp   4
+                         Standard orientation:                         
+ ---------------------------------------------------------------------
+ Center     Atomic      Atomic             Coordinates (Angstroms)
+ Number     Number       Type             X           Y           Z
+ ---------------------------------------------------------------------
+      1          6           0        0.000000    0.000000    0.000000
+      2          1           0        0.617765    0.617765    0.617765
+      3          1           0       -0.617765   -0.617765    0.617765
+      4          1           0       -0.617765    0.617765   -0.617765
+      5          1           0        0.617765   -0.617765   -0.617765
+ ---------------------------------------------------------------------
+ Rotational constants (GHZ):    164.2463759    164.2463759    164.2463759
+ Leave Link  202 at Thu Nov 07 11:12:24 2019, MaxMem=    33554432 cpu:         0.0
+ (Enter C:\G09W\l301.exe)
+ Standard basis: 3-21G (6D, 7F)
+ Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
+ There are     5 symmetry adapted cartesian basis functions of A   symmetry.
+ There are     4 symmetry adapted cartesian basis functions of B1  symmetry.
+ There are     4 symmetry adapted cartesian basis functions of B2  symmetry.
+ There are     4 symmetry adapted cartesian basis functions of B3  symmetry.
+ There are     5 symmetry adapted basis functions of A   symmetry.
+ There are     4 symmetry adapted basis functions of B1  symmetry.
+ There are     4 symmetry adapted basis functions of B2  symmetry.
+ There are     4 symmetry adapted basis functions of B3  symmetry.
+    17 basis functions,    27 primitive gaussians,    17 cartesian basis functions
+     5 alpha electrons        5 beta electrons
+       nuclear repulsion energy        13.6865184431 Hartrees.
+ IExCor=  419 DFT=T Ex+Corr=B2PLYP ExCW=0 ScaHFX=  0.530000
+ ScaDFX=  0.470000  0.470000  0.730000  0.730000 ScalE2=  0.270000  0.270000
+ IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
+ NAtoms=    5 NActive=    5 NUniq=    2 SFac= 4.00D+00 NAtFMM=   60 NAOKFM=F Big=F
+ Integral buffers will be    262144 words long.
+ Regular integral format.
+ Two-electron integral symmetry is turned on.
+ Leave Link  301 at Thu Nov 07 11:12:24 2019, MaxMem=    33554432 cpu:         0.0
+ (Enter C:\G09W\l302.exe)
+ NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
+         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
+ One-electron integrals computed using PRISM.
+ One-electron integral symmetry used in STVInt
+ NBasis=    17 RedAO= T EigKep=  4.03D-02  NBF=     5     4     4     4
+ NBsUse=    17 1.00D-06 EigRej= -1.00D+00 NBFU=     5     4     4     4
+ Precomputing XC quadrature grid using
+ IXCGrd= 4 IRadAn=           0 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
+ Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          16
+ NSgBfM=    17    17    17    17    17 MxSgAt=     5 MxSgA2=     5.
+ Leave Link  302 at Thu Nov 07 11:12:24 2019, MaxMem=    33554432 cpu:         0.0
+ (Enter C:\G09W\l303.exe)
+ DipDrv:  MaxL=1.
+ Leave Link  303 at Thu Nov 07 11:12:24 2019, MaxMem=    33554432 cpu:         0.0
+ (Enter C:\G09W\l401.exe)
+ ExpMin= 1.83D-01 ExpMax= 1.72D+02 ExpMxC= 1.72D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
+ Harris functional with IExCor=  419 and IRadAn=       1 diagonalized for initial guess.
+ HarFok:  IExCor=  419 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1 UseB2=F ITyADJ=14
+ ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
+ FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
+         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
+         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
+         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
+ Petite list used in FoFCou.
+ Harris En= -40.3389689758633    
+ JPrj=0 DoOrth=F DoCkMO=F.
+ Initial guess orbital symmetries:
+       Occupied  (A) (A) (T) (T) (T)
+       Virtual   (A) (T) (T) (T) (T) (T) (T) (A) (T) (T) (T) (A)
+ The electronic state of the initial guess is 1-A.
+ Leave Link  401 at Thu Nov 07 11:12:24 2019, MaxMem=    33554432 cpu:         0.0
+ (Enter C:\G09W\l502.exe)
+ Closed shell SCF:
+ Using DIIS extrapolation, IDIIS=  1040.
+ Integral symmetry usage will be decided dynamically.
+ Keep R1 ints in memory in symmetry-blocked form, NReq=887875.
+ IVT=       20113 IEndB=       20113 NGot=    33554432 MDV=    33530844
+ LenX=    33530844 LenY=    33529962
+ Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
+ Requested convergence on MAX density matrix=1.00D-06.
+ Requested convergence on             energy=1.00D-06.
+ No special actions if energy rises.
+ FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
+         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
+         wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0
+         NMat0=    1 NMatS0=    153 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
+ Petite list used in FoFCou.
+ Integral accuracy reduced to 1.0D-05 until final iterations.
+
+ Cycle   1  Pass 0  IDiag  1:
+ E= -40.0981649461019    
+ DIIS: error= 7.33D-02 at cycle   1 NSaved=   1.
+ NSaved= 1 IEnMin= 1 EnMin= -40.0981649461019     IErMin= 1 ErrMin= 7.33D-02
+ ErrMax= 7.33D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.51D-02 BMatP= 8.51D-02
+ IDIUse=3 WtCom= 2.67D-01 WtEn= 7.33D-01
+ Coeff-Com:  0.100D+01
+ Coeff-En:   0.100D+01
+ Coeff:      0.100D+01
+ Gap=     0.604 Goal=   None    Shift=    0.000
+ GapD=    0.604 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
+ RMSDP=2.40D-02 MaxDP=1.34D-01              OVMax= 1.46D-01
+
+ Cycle   2  Pass 0  IDiag  1:
+ E= -40.1434815728746     Delta-E=       -0.045316626773 Rises=F Damp=F
+ DIIS: error= 4.84D-02 at cycle   2 NSaved=   2.
+ NSaved= 2 IEnMin= 2 EnMin= -40.1434815728746     IErMin= 2 ErrMin= 4.84D-02
+ ErrMax= 4.84D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.17D-02 BMatP= 8.51D-02
+ IDIUse=3 WtCom= 5.16D-01 WtEn= 4.84D-01
+ Coeff-Com:  0.410D+00 0.590D+00
+ Coeff-En:   0.278D+00 0.722D+00
+ Coeff:      0.346D+00 0.654D+00
+ Gap=     0.673 Goal=   None    Shift=    0.000
+ RMSDP=1.04D-02 MaxDP=5.76D-02 DE=-4.53D-02 OVMax= 5.96D-02
+
+ Cycle   3  Pass 0  IDiag  1:
+ E= -40.1850864359784     Delta-E=       -0.041604863104 Rises=F Damp=F
+ DIIS: error= 5.97D-03 at cycle   3 NSaved=   3.
+ NSaved= 3 IEnMin= 3 EnMin= -40.1850864359784     IErMin= 3 ErrMin= 5.97D-03
+ ErrMax= 5.97D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.70D-04 BMatP= 4.17D-02
+ IDIUse=3 WtCom= 9.40D-01 WtEn= 5.97D-02
+ Coeff-Com: -0.217D-01 0.800D-01 0.942D+00
+ Coeff-En:   0.000D+00 0.000D+00 0.100D+01
+ Coeff:     -0.204D-01 0.752D-01 0.945D+00
+ Gap=     0.670 Goal=   None    Shift=    0.000
+ RMSDP=1.05D-03 MaxDP=5.14D-03 DE=-4.16D-02 OVMax= 6.79D-03
+
+ Cycle   4  Pass 0  IDiag  1:
+ E= -40.1856477513352     Delta-E=       -0.000561315357 Rises=F Damp=F
+ DIIS: error= 2.25D-04 at cycle   4 NSaved=   4.
+ NSaved= 4 IEnMin= 4 EnMin= -40.1856477513352     IErMin= 4 ErrMin= 2.25D-04
+ ErrMax= 2.25D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.36D-07 BMatP= 5.70D-04
+ IDIUse=3 WtCom= 9.98D-01 WtEn= 2.25D-03
+ Coeff-Com:  0.110D-02-0.122D-01-0.794D-01 0.109D+01
+ Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
+ Coeff:      0.110D-02-0.122D-01-0.792D-01 0.109D+01
+ Gap=     0.671 Goal=   None    Shift=    0.000
+ RMSDP=5.28D-05 MaxDP=4.28D-04 DE=-5.61D-04 OVMax= 2.69D-04
+
+ Cycle   5  Pass 0  IDiag  1:
+ E= -40.1856485017618     Delta-E=       -0.000000750427 Rises=F Damp=F
+ DIIS: error= 7.43D-06 at cycle   5 NSaved=   5.
+ NSaved= 5 IEnMin= 5 EnMin= -40.1856485017618     IErMin= 5 ErrMin= 7.43D-06
+ ErrMax= 7.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.93D-10 BMatP= 7.36D-07
+ IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
+ Coeff-Com:  0.651D-04-0.118D-04-0.184D-02-0.487D-01 0.105D+01
+ Coeff:      0.651D-04-0.118D-04-0.184D-02-0.487D-01 0.105D+01
+ Gap=     0.671 Goal=   None    Shift=    0.000
+ RMSDP=2.38D-06 MaxDP=2.80D-05 DE=-7.50D-07 OVMax= 1.27D-05
+
+ Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
+ Cycle   6  Pass 1  IDiag  1:
+ E= -40.1856263419652     Delta-E=        0.000022159797 Rises=F Damp=F
+ DIIS: error= 5.73D-06 at cycle   1 NSaved=   1.
+ NSaved= 1 IEnMin= 1 EnMin= -40.1856263419652     IErMin= 1 ErrMin= 5.73D-06
+ ErrMax= 5.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.33D-10 BMatP= 7.33D-10
+ IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
+ Coeff-Com:  0.100D+01
+ Coeff:      0.100D+01
+ Gap=     0.671 Goal=   None    Shift=    0.000
+ RMSDP=2.38D-06 MaxDP=2.80D-05 DE= 2.22D-05 OVMax= 1.43D-05
+
+ Cycle   7  Pass 1  IDiag  1:
+ E= -40.1856263434286     Delta-E=       -0.000000001463 Rises=F Damp=F
+ DIIS: error= 8.41D-07 at cycle   2 NSaved=   2.
+ NSaved= 2 IEnMin= 2 EnMin= -40.1856263434286     IErMin= 2 ErrMin= 8.41D-07
+ ErrMax= 8.41D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-11 BMatP= 7.33D-10
+ IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
+ Coeff-Com: -0.166D+00 0.117D+01
+ Coeff:     -0.166D+00 0.117D+01
+ Gap=     0.671 Goal=   None    Shift=    0.000
+ RMSDP=7.30D-07 MaxDP=3.31D-06 DE=-1.46D-09 OVMax= 2.51D-06
+
+ Cycle   8  Pass 1  IDiag  1:
+ E= -40.1856263434675     Delta-E=       -0.000000000039 Rises=F Damp=F
+ DIIS: error= 3.89D-07 at cycle   3 NSaved=   3.
+ NSaved= 3 IEnMin= 3 EnMin= -40.1856263434675     IErMin= 3 ErrMin= 3.89D-07
+ ErrMax= 3.89D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-12 BMatP= 2.32D-11
+ IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
+ Coeff-Com: -0.527D-01 0.385D+00 0.667D+00
+ Coeff:     -0.527D-01 0.385D+00 0.667D+00
+ Gap=     0.671 Goal=   None    Shift=    0.000
+ RMSDP=8.27D-08 MaxDP=3.67D-07 DE=-3.89D-11 OVMax= 5.24D-07
+
+ Cycle   9  Pass 1  IDiag  1:
+ E= -40.1856263434697     Delta-E=       -0.000000000002 Rises=F Damp=F
+ DIIS: error= 7.84D-08 at cycle   4 NSaved=   4.
+ NSaved= 4 IEnMin= 4 EnMin= -40.1856263434697     IErMin= 4 ErrMin= 7.84D-08
+ ErrMax= 7.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.09D-14 BMatP= 2.47D-12
+ IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
+ Coeff-Com:  0.630D-02-0.570D-01 0.860D-01 0.965D+00
+ Coeff:      0.630D-02-0.570D-01 0.860D-01 0.965D+00
+ Gap=     0.671 Goal=   None    Shift=    0.000
+ RMSDP=1.79D-08 MaxDP=1.53D-07 DE=-2.22D-12 OVMax= 9.13D-08
+
+ Cycle  10  Pass 1  IDiag  1:
+ E= -40.1856263434700     Delta-E=        0.000000000000 Rises=F Damp=F
+ DIIS: error= 2.74D-09 at cycle   5 NSaved=   5.
+ NSaved= 5 IEnMin= 5 EnMin= -40.1856263434700     IErMin= 5 ErrMin= 2.74D-09
+ ErrMax= 2.74D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.76D-17 BMatP= 8.09D-14
+ IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
+ Coeff-Com: -0.864D-03 0.808D-02-0.149D-01-0.160D+00 0.117D+01
+ Coeff:     -0.864D-03 0.808D-02-0.149D-01-0.160D+00 0.117D+01
+ Gap=     0.671 Goal=   None    Shift=    0.000
+ RMSDP=1.07D-09 MaxDP=1.34D-08 DE=-2.70D-13 OVMax= 6.04D-09
+
+ SCF Done:  E(RB2PLYP) =  -40.1856263435     A.U. after   10 cycles
+            NFock= 10  Conv=0.11D-08     -V/T= 2.0048
+ KE= 3.999316782235D+01 PE=-1.199505132181D+02 EE= 2.608520060914D+01
+ Leave Link  502 at Thu Nov 07 11:12:24 2019, MaxMem=    33554432 cpu:         0.0
+ (Enter C:\G09W\l801.exe)
+ DoSCS=T DFT=T ScalE2(SS,OS)=  0.270000  0.270000
+ ExpMin= 1.83D-01 ExpMax= 1.72D+02 ExpMxC= 1.72D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
+ HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         5 IDoV=-2 UseB2=F ITyADJ=14
+ ICtDFT= 12500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
+ Largest valence mixing into a core orbital is  2.13D-04
+ Largest core mixing into a valence orbital is  1.70D-05
+ Range of M.O.s used for correlation:     2    17
+ NBasis=    17 NAE=     5 NBE=     5 NFC=     1 NFV=     0
+ NROrb=     16 NOA=     4 NOB=     4 NVA=    12 NVB=    12
+ Leave Link  801 at Thu Nov 07 11:12:25 2019, MaxMem=    33554432 cpu:         0.0
+ (Enter C:\G09W\l906.exe)
+ DoSCS=T DFT=T ScalE2(SS,OS)=  0.270000  0.270000
+ FulOut=F Deriv=F AODrv=F NAtomX=     5
+   MMem=       13705  MDisk=           4 MDiskD=           4
+  W3Min=         816 MinDsk=       53041 NBas6D=          17
+ NBas2D=         165    NTT=         153    LW2=     2000000
+    MDV=    33549921 MDiskM=       19332 NBas2p=          87
+ Fully in-core method, ICMem=     6034076.
+ IMap=   1   2   3   4
+ JobTyp=1 Pass  1 fully in-core, NPsUse=  1.
+ Compute canonical integrals.
+ FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
+         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
+         wScrn=  0.000000 ICntrl=     600 IOpCl=  1 I1Cent=           0 NGrid=           0
+         NMat0=    1 NMatS0=    165 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
+ Symmetry not used in FoFCou.
+ Spin components of T(2) and E(2):
+     alpha-alpha T2 =       0.4192926533D-02 E2=     -0.2630109372D-02
+     alpha-beta  T2 =       0.4324389502D-01 E2=     -0.2690800998D-01
+     beta-beta   T2 =       0.4192926533D-02 E2=     -0.2630109372D-02
+ The integrals were generated   1 times.
+ E2(B2PLYP) =    -0.3216822872D-01 E(B2PLYP) =    -0.40217794572194D+02
+ Leave Link  906 at Thu Nov 07 11:12:25 2019, MaxMem=    33554432 cpu:         0.0
+ (Enter C:\G09W\l601.exe)
+ Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.
+
+ **********************************************************************
+
+            Population analysis using the SCF density.
+
+ **********************************************************************
+
+ Orbital symmetries:
+       Occupied  (A) (A) (T) (T) (T)
+       Virtual   (A) (T) (T) (T) (T) (T) (T) (A) (T) (T) (T) (A)
+ The electronic state is 1-A.
+ Alpha  occ. eigenvalues --  -10.52823  -0.80292  -0.45801  -0.45801  -0.45801
+ Alpha virt. eigenvalues --    0.21250   0.26564   0.26564   0.26564   0.78536
+ Alpha virt. eigenvalues --    0.78536   0.78536   1.17819   1.19459   1.19459
+ Alpha virt. eigenvalues --    1.19459   1.81058
+          Condensed to atoms (all electrons):
+               1          2          3          4          5
+     1  C    5.310020   0.370976   0.370976   0.370976   0.370976
+     2  H    0.370976   0.510088  -0.026515  -0.026515  -0.026515
+     3  H    0.370976  -0.026515   0.510088  -0.026515  -0.026515
+     4  H    0.370976  -0.026515  -0.026515   0.510088  -0.026515
+     5  H    0.370976  -0.026515  -0.026515  -0.026515   0.510088
+ Mulliken charges:
+               1
+     1  C   -0.793922
+     2  H    0.198480
+     3  H    0.198480
+     4  H    0.198480
+     5  H    0.198480
+ Sum of Mulliken charges =   0.00000
+ Mulliken charges with hydrogens summed into heavy atoms:
+               1
+     1  C    0.000000
+ Electronic spatial extent (au):  <R**2>=             34.7598
+ Charge=              0.0000 electrons
+ Dipole moment (field-independent basis, Debye):
+    X=              0.0000    Y=              0.0000    Z=              0.0000  Tot=              0.0000
+ Quadrupole moment (field-independent basis, Debye-Ang):
+   XX=             -8.2521   YY=             -8.2521   ZZ=             -8.2521
+   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
+ Traceless Quadrupole moment (field-independent basis, Debye-Ang):
+   XX=              0.0000   YY=              0.0000   ZZ=              0.0000
+   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
+ Octapole moment (field-independent basis, Debye-Ang**2):
+  XXX=              0.0000  YYY=              0.0000  ZZZ=              0.0000  XYY=              0.0000
+  XXY=              0.0000  XXZ=              0.0000  XZZ=              0.0000  YZZ=              0.0000
+  YYZ=              0.0000  XYZ=              0.6859
+ Hexadecapole moment (field-independent basis, Debye-Ang**3):
+ XXXX=            -14.8440 YYYY=            -14.8440 ZZZZ=            -14.8440 XXXY=              0.0000
+ XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
+ ZZZY=              0.0000 XXYY=             -4.5291 XXZZ=             -4.5291 YYZZ=             -4.5291
+ XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
+ N-N= 1.368651844314D+01 E-N=-1.199505132239D+02  KE= 3.999316782235D+01
+ Symmetry A    KE= 3.420467566746D+01
+ Symmetry B1   KE= 1.929497384965D+00
+ Symmetry B2   KE= 1.929497384965D+00
+ Symmetry B3   KE= 1.929497384965D+00
+ Leave Link  601 at Thu Nov 07 11:12:25 2019, MaxMem=    33554432 cpu:         0.0
+ (Enter C:\G09W\l9999.exe)
+ 1|1|UNPC-DUMINDA-T480S|SP|RB2PLYP-FC|3-21G|C1H4|DRANA|07-Nov-2019|0||#
+ p b2plyp/3-21g geom=connectivity||Title Card Required||0,1|C,0,1.29707
+ 111,0.70606695,0.|H,0,1.65372554,-0.30274306,0.|H,0,1.65374395,1.21046
+ 514,0.8736515|H,0,1.65374395,1.21046514,-0.8736515|H,0,0.22707111,0.70
+ 608013,0.||Version=IA32W-G09RevD.01|State=1-A|HF=-40.1856263|MP2=-40.2
+ 177946|RMSD=1.070e-009|PG=T [O(C1),4C3(H1)]||@
+
+
+ TRUST EVERYONE, BUT CUT THE CARDS.
+ Job cpu time:       0 days  0 hours  0 minutes  1.0 seconds.
+ File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=      1
+ Normal termination of Gaussian 09 at Thu Nov 07 11:12:25 2019.
diff --git a/arkane/data/UCCSDT_C_ATOM.LOG b/arkane/data/UCCSDT_C_ATOM.LOG
new file mode 100755
index 00000000000..305c6e43787
--- /dev/null
+++ b/arkane/data/UCCSDT_C_ATOM.LOG
@@ -0,0 +1,364 @@
+ Entering Link 1 = C:\G09W\l1.exe PID=      1288.
+  
+ Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
+            Gaussian, Inc.  All Rights Reserved.
+  
+ This is part of the Gaussian(R) 09 program.  It is based on
+ the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
+ the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
+ the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
+ the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
+ the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
+ the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
+ the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
+ University), and the Gaussian 82(TM) system (copyright 1983,
+ Carnegie Mellon University). Gaussian is a federally registered
+ trademark of Gaussian, Inc.
+  
+ This software contains proprietary and confidential information,
+ including trade secrets, belonging to Gaussian, Inc.
+  
+ This software is provided under written license and may be
+ used, copied, transmitted, or stored only in accord with that
+ written license.
+  
+ The following legend is applicable only to US Government
+ contracts under FAR:
+  
+                    RESTRICTED RIGHTS LEGEND
+  
+ Use, reproduction and disclosure by the US Government is
+ subject to restrictions as set forth in subparagraphs (a)
+ and (c) of the Commercial Computer Software - Restricted
+ Rights clause in FAR 52.227-19.
+  
+ Gaussian, Inc.
+ 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
+  
+  
+ ---------------------------------------------------------------
+ Warning -- This program may not be used in any manner that
+ competes with the business of Gaussian, Inc. or will provide
+ assistance to any competitor of Gaussian, Inc.  The licensee
+ of this program is prohibited from giving any competitor of
+ Gaussian, Inc. access to this program.  By using this program,
+ the user acknowledges that Gaussian, Inc. is engaged in the
+ business of creating and licensing software in the field of
+ computational chemistry and represents and warrants to the
+ licensee that it is not a competitor of Gaussian, Inc. and that
+ it will not use this program in any manner prohibited above.
+ ---------------------------------------------------------------
+  
+
+ Cite this work as:
+ Gaussian 09, Revision D.01,
+ M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
+ M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
+ G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
+ A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
+ M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
+ Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
+ J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
+ K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
+ K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
+ M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
+ V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
+ O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
+ R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
+ P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
+ O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
+ and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
+ 
+ ******************************************
+ Gaussian 09:  IA32W-G09RevD.01 24-Apr-2013
+                07-Nov-2019 
+ ******************************************
+ %chk=C:\Users\drana\Desktop\work\Scratch\G09\MarkG\Energy\G09\uccsdt_C_atom.chk
+ ----------------------------------
+ # uccsd(t)/3-21g geom=connectivity
+ ----------------------------------
+ 1/38=1,57=2/1;
+ 2/12=2,17=6,18=5,40=1/2;
+ 3/5=5,11=2,16=1,25=1,30=1,116=2/1,2,3;
+ 4//1;
+ 5/5=2,38=5/2;
+ 8/6=4,9=120000,10=1/1,4;
+ 9/5=7,14=2/13;
+ 6/7=2,8=2,9=2,10=2/1;
+ 99/5=1,9=1/99;
+ -------------------
+ Title Card Required
+ -------------------
+ Symbolic Z-matrix:
+ Charge =  0 Multiplicity = 3
+ C                     1.0251    0.95711   0. 
+ 
+                          Input orientation:                          
+ ---------------------------------------------------------------------
+ Center     Atomic      Atomic             Coordinates (Angstroms)
+ Number     Number       Type             X           Y           Z
+ ---------------------------------------------------------------------
+      1          6           0        1.025105    0.957113    0.000000
+ ---------------------------------------------------------------------
+ Stoichiometry    C(3)
+ Framework group  OH[O(C)]
+ Deg. of freedom     0
+ Full point group                 OH      NOp  48
+ Largest Abelian subgroup         D2H     NOp   8
+ Largest concise Abelian subgroup C1      NOp   1
+                         Standard orientation:                         
+ ---------------------------------------------------------------------
+ Center     Atomic      Atomic             Coordinates (Angstroms)
+ Number     Number       Type             X           Y           Z
+ ---------------------------------------------------------------------
+      1          6           0        0.000000    0.000000    0.000000
+ ---------------------------------------------------------------------
+ Standard basis: 3-21G (6D, 7F)
+ There are     3 symmetry adapted cartesian basis functions of AG  symmetry.
+ There are     0 symmetry adapted cartesian basis functions of B1G symmetry.
+ There are     0 symmetry adapted cartesian basis functions of B2G symmetry.
+ There are     0 symmetry adapted cartesian basis functions of B3G symmetry.
+ There are     0 symmetry adapted cartesian basis functions of AU  symmetry.
+ There are     2 symmetry adapted cartesian basis functions of B1U symmetry.
+ There are     2 symmetry adapted cartesian basis functions of B2U symmetry.
+ There are     2 symmetry adapted cartesian basis functions of B3U symmetry.
+ There are     3 symmetry adapted basis functions of AG  symmetry.
+ There are     0 symmetry adapted basis functions of B1G symmetry.
+ There are     0 symmetry adapted basis functions of B2G symmetry.
+ There are     0 symmetry adapted basis functions of B3G symmetry.
+ There are     0 symmetry adapted basis functions of AU  symmetry.
+ There are     2 symmetry adapted basis functions of B1U symmetry.
+ There are     2 symmetry adapted basis functions of B2U symmetry.
+ There are     2 symmetry adapted basis functions of B3U symmetry.
+     9 basis functions,    15 primitive gaussians,     9 cartesian basis functions
+     4 alpha electrons        2 beta electrons
+       nuclear repulsion energy         0.0000000000 Hartrees.
+ NAtoms=    1 NActive=    1 NUniq=    1 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
+ Integral buffers will be    262144 words long.
+ Raffenetti 2 integral format.
+ Two-electron integral symmetry is turned on.
+ One-electron integrals computed using PRISM.
+ NBasis=     9 RedAO= T EigKep=  6.75D-01  NBF=     3     0     0     0     0     2     2     2
+ NBsUse=     9 1.00D-06 EigRej= -1.00D+00 NBFU=     3     0     0     0     0     2     2     2
+ ExpMin= 1.96D-01 ExpMax= 1.72D+02 ExpMxC= 1.72D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
+ Harris functional with IExCor=  205 and IRadAn=       1 diagonalized for initial guess.
+ HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1 UseB2=F ITyADJ=14
+ ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
+ FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
+         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
+         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
+         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
+ Petite list used in FoFCou.
+ Initial guess orbital symmetries:
+ Alpha Orbitals:
+       Occupied  (A1G) (A1G) (T1U) (T1U)
+       Virtual   (T1U) (T1U) (T1U) (T1U) (A1G)
+ Beta  Orbitals:
+       Occupied  (A1G) (A1G)
+       Virtual   (T1U) (T1U) (T1U) (T1U) (T1U) (T1U) (A1G)
+ Initial guess <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 1.0000 <S**2>= 2.0000 S= 1.0000
+ Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=822740.
+ Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
+ Requested convergence on MAX density matrix=1.00D-06.
+ Requested convergence on             energy=1.00D-06.
+ No special actions if energy rises.
+ Density matrix breaks symmetry, PCut= 1.00D-04
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ SCF Done:  E(UHF) =  -37.4810698326     A.U. after    6 cycles
+            NFock=  6  Conv=0.55D-08     -V/T= 2.0033
+ <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 1.0000 <S**2>= 2.0010 S= 1.0003
+ <L.S>= 0.000000000000E+00
+ Annihilation of the first spin contaminant:
+ S**2 before annihilation     2.0010,   after     2.0000
+ ExpMin= 1.96D-01 ExpMax= 1.72D+02 ExpMxC= 1.72D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
+ HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         5 IDoV=-2 UseB2=F ITyADJ=14
+ ICtDFT= 12500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
+ Range of M.O.s used for correlation:     2     9
+ NBasis=     9 NAE=     4 NBE=     2 NFC=     1 NFV=     0
+ NROrb=      8 NOA=     3 NOB=     1 NVA=     5 NVB=     7
+ Semi-Direct transformation.
+ ModeAB=           2 MOrb=             3 LenV=      33458373
+ LASXX=           66 LTotXX=          66 LenRXX=          66
+ LTotAB=         132 MaxLAS=        1080 LenRXY=        1080
+ NonZer=        1368 LenScr=     1048064 LnRSAI=           0
+ LnScr1=           0 LExtra=           0 Total=      1049210
+ MaxDsk=          -1 SrtSym=           F ITran=            4
+ JobTyp=1 Pass  1:  I=   1 to   3.
+ (rs|ai) integrals will be sorted in core.
+ ModeAB=           2 MOrb=             1 LenV=      33458373
+ LASXX=           28 LTotXX=          28 LenRXX=         360
+ LTotAB=          20 MaxLAS=         360 LenRXY=          20
+ NonZer=         456 LenScr=     1048064 LnRSAI=           0
+ LnScr1=           0 LExtra=           0 Total=      1048444
+ MaxDsk=          -1 SrtSym=           F ITran=            4
+ JobTyp=2 Pass  1:  I=   1 to   1.
+ (rs|ai) integrals will be sorted in core.
+ Spin components of T(2) and E(2):
+     alpha-alpha T2 =       0.1539858699D-02 E2=     -0.4542240933D-02
+     alpha-beta  T2 =       0.8342095977D-02 E2=     -0.1907164950D-01
+     beta-beta   T2 =       0.0000000000D+00 E2=      0.0000000000D+00
+ ANorm=    0.1004928831D+01
+ E2 =    -0.2361389043D-01 EUMP2 =    -0.37504683723025D+02
+ (S**2,0)=  0.20010D+01           (S**2,1)=  0.20001D+01
+ E(PUHF)=      -0.37481383594D+02        E(PMP2)=      -0.37504849457D+02
+ Keep R2 and R3 ints in memory in symmetry-blocked form, NReq=802872.
+ Iterations=  50 Convergence= 0.100D-06
+ Iteration Nr.   1
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ E(PMP3)=      -0.37512313510D+02
+ MP4(R+Q)=  0.19195405D-03
+ E3=       -0.75521070D-02        EUMP3=      -0.37512235830D+02
+ E4(DQ)=   -0.27959200D-02        UMP4(DQ)=   -0.37515031750D+02
+ E4(SDQ)=  -0.28114103D-02        UMP4(SDQ)=  -0.37515047240D+02
+ DE(Corr)= -0.30974220E-01 E(Corr)=     -37.512044053    
+ NORM(A)=   0.10116679D+01
+ Iteration Nr.   2
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ DE(Corr)= -0.34987698E-01 E(CORR)=     -37.516057530     Delta=-4.01D-03
+ NORM(A)=   0.10140179D+01
+ Iteration Nr.   3
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ DE(Corr)= -0.36028974E-01 E(CORR)=     -37.517098807     Delta=-1.04D-03
+ NORM(A)=   0.10142146D+01
+ Iteration Nr.   4
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ DE(Corr)= -0.36098709E-01 E(CORR)=     -37.517168542     Delta=-6.97D-05
+ NORM(A)=   0.10141609D+01
+ Iteration Nr.   5
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ DE(Corr)= -0.36075425E-01 E(CORR)=     -37.517145257     Delta= 2.33D-05
+ NORM(A)=   0.10141784D+01
+ Iteration Nr.   6
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ DE(Corr)= -0.36082625E-01 E(CORR)=     -37.517152457     Delta=-7.20D-06
+ NORM(A)=   0.10141757D+01
+ Iteration Nr.   7
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ DE(Corr)= -0.36081518E-01 E(CORR)=     -37.517151351     Delta= 1.11D-06
+ NORM(A)=   0.10141759D+01
+ Iteration Nr.   8
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ DE(Corr)= -0.36081594E-01 E(CORR)=     -37.517151426     Delta=-7.52D-08
+ NORM(A)=   0.10141759D+01
+ Dominant configurations:
+ ***********************
+ Spin Case        I    J    A    B          Value
+   ABAB           2    2    5    3      -0.136608D+00
+ Largest amplitude= 1.37D-01
+ Time for triples=        0.00 seconds.
+ T4(CCSD)= -0.30136292D-03
+ T5(CCSD)= -0.16795075D-05
+ CCSD(T)= -0.37517454469D+02
+
+ S**2, projected HF & approx projected MPn energies after annihilation of
+ unwanted spin states (see manual for definitions):
+
+ spins       (S**2,0) (S**2,1)    PUHF        PMP2        PMP3        PMP4
+ annihilated
+ s+1         2.00000  2.00000  -37.481384  -37.504849  -37.512314
+
+ Discarding MO integrals.
+
+ **********************************************************************
+
+            Population analysis using the SCF density.
+
+ **********************************************************************
+
+ Orbital symmetries:
+ Alpha Orbitals:
+       Occupied  (A1G) (A1G) (?A) (?A)
+       Virtual   (?A) (?A) (?A) (?A) (A1G)
+ Beta  Orbitals:
+       Occupied  (A1G) (A1G)
+       Virtual   (?A) (?A) (?A) (?A) (?A) (?A) (A1G)
+ Unable to determine electronic state:  an orbital has unidentified symmetry.
+ Alpha  occ. eigenvalues --  -11.27250  -0.81446  -0.42596  -0.42596
+ Alpha virt. eigenvalues --    0.05294   0.89798   0.89798   0.97612   1.24659
+  Beta  occ. eigenvalues --  -11.23139  -0.57527
+  Beta virt. eigenvalues --    0.10809   0.16273   0.16273   1.01164   1.06359
+  Beta virt. eigenvalues --    1.06359   1.33242
+          Condensed to atoms (all electrons):
+               1
+     1  C    6.000000
+          Atomic-Atomic Spin Densities.
+               1
+     1  C    2.000000
+ Mulliken charges and spin densities:
+               1          2
+     1  C    0.000000   2.000000
+ Sum of Mulliken charges =   0.00000   2.00000
+ Mulliken charges and spin densities with hydrogens summed into heavy atoms:
+               1          2
+     1  C    0.000000   2.000000
+ Electronic spatial extent (au):  <R**2>=             13.3032
+ Charge=              0.0000 electrons
+ Dipole moment (field-independent basis, Debye):
+    X=              0.0000    Y=              0.0000    Z=              0.0000  Tot=              0.0000
+ Quadrupole moment (field-independent basis, Debye-Ang):
+   XX=             -4.7201   YY=             -6.5866   ZZ=             -6.5866
+   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
+ Traceless Quadrupole moment (field-independent basis, Debye-Ang):
+   XX=              1.2443   YY=             -0.6222   ZZ=             -0.6222
+   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
+ Octapole moment (field-independent basis, Debye-Ang**2):
+  XXX=              0.0000  YYY=              0.0000  ZZZ=              0.0000  XYY=              0.0000
+  XXY=              0.0000  XXZ=              0.0000  XZZ=              0.0000  YZZ=              0.0000
+  YYZ=              0.0000  XYZ=              0.0000
+ Hexadecapole moment (field-independent basis, Debye-Ang**3):
+ XXXX=             -4.1347 YYYY=             -7.1820 ZZZZ=             -7.1820 XXXY=              0.0000
+ XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
+ ZZZY=              0.0000 XXYY=             -1.8861 XXZZ=             -1.8861 YYZZ=             -2.3940
+ XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
+ N-N= 0.000000000000D+00 E-N=-8.757280191249D+01  KE= 3.735620893854D+01
+ Symmetry AG   KE= 3.487097636732D+01
+ Symmetry B1G  KE= 0.000000000000D+00
+ Symmetry B2G  KE= 0.000000000000D+00
+ Symmetry B3G  KE= 0.000000000000D+00
+ Symmetry AU   KE= 0.000000000000D+00
+ Symmetry B1U  KE= 1.242616285610D+00
+ Symmetry B2U  KE= 1.242616285610D+00
+ Symmetry B3U  KE= 4.658757089566D-33
+ 1|1|UNPC-DUMINDA-T480S|SP|UCCSD(T)-FC|3-21G|C1(3)|DRANA|07-Nov-2019|0|
+ |# uccsd(t)/3-21g geom=connectivity||Title Card Required||0,3|C,0,1.02
+ 510459,0.95711297,0.||Version=IA32W-G09RevD.01|HF=-37.4810698|MP2=-37.
+ 5046837|MP3=-37.5122358|MP4D=-37.5152237|MP4DQ=-37.5150318|PUHF=-37.48
+ 13836|PMP2-0=-37.5048495|PMP3-0=-37.5123135|MP4SDQ=-37.5150472|CCSD=-3
+ 7.5171514|CCSD(T)=-37.5174545|S2=2.000971|S2-1=2.000055|S2A=2.|RMSD=5.
+ 455e-009|PG=OH [O(C1)]||@
+
+
+ TIME IS NATURE'S WAY OF MAKING SURE EVERYTHING
+ DOESN'T HAPPEN AT ONCE.
+                     - WOODY ALLEN
+ Job cpu time:       0 days  0 hours  0 minutes  1.0 seconds.
+ File lengths (MBytes):  RWF=     14 Int=      0 D2E=      0 Chk=      1 Scr=      1
+ Normal termination of Gaussian 09 at Thu Nov 07 11:18:37 2019.
diff --git a/arkane/data/UCCSD_C_ATOM.LOG b/arkane/data/UCCSD_C_ATOM.LOG
new file mode 100755
index 00000000000..be58ef29998
--- /dev/null
+++ b/arkane/data/UCCSD_C_ATOM.LOG
@@ -0,0 +1,359 @@
+ Entering Link 1 = C:\G09W\l1.exe PID=     24648.
+  
+ Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
+            Gaussian, Inc.  All Rights Reserved.
+  
+ This is part of the Gaussian(R) 09 program.  It is based on
+ the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
+ the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
+ the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
+ the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
+ the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
+ the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
+ the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
+ University), and the Gaussian 82(TM) system (copyright 1983,
+ Carnegie Mellon University). Gaussian is a federally registered
+ trademark of Gaussian, Inc.
+  
+ This software contains proprietary and confidential information,
+ including trade secrets, belonging to Gaussian, Inc.
+  
+ This software is provided under written license and may be
+ used, copied, transmitted, or stored only in accord with that
+ written license.
+  
+ The following legend is applicable only to US Government
+ contracts under FAR:
+  
+                    RESTRICTED RIGHTS LEGEND
+  
+ Use, reproduction and disclosure by the US Government is
+ subject to restrictions as set forth in subparagraphs (a)
+ and (c) of the Commercial Computer Software - Restricted
+ Rights clause in FAR 52.227-19.
+  
+ Gaussian, Inc.
+ 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
+  
+  
+ ---------------------------------------------------------------
+ Warning -- This program may not be used in any manner that
+ competes with the business of Gaussian, Inc. or will provide
+ assistance to any competitor of Gaussian, Inc.  The licensee
+ of this program is prohibited from giving any competitor of
+ Gaussian, Inc. access to this program.  By using this program,
+ the user acknowledges that Gaussian, Inc. is engaged in the
+ business of creating and licensing software in the field of
+ computational chemistry and represents and warrants to the
+ licensee that it is not a competitor of Gaussian, Inc. and that
+ it will not use this program in any manner prohibited above.
+ ---------------------------------------------------------------
+  
+
+ Cite this work as:
+ Gaussian 09, Revision D.01,
+ M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
+ M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
+ G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
+ A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
+ M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
+ Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
+ J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
+ K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
+ K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
+ M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
+ V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
+ O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
+ R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
+ P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
+ O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
+ and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
+ 
+ ******************************************
+ Gaussian 09:  IA32W-G09RevD.01 24-Apr-2013
+                07-Nov-2019 
+ ******************************************
+ %chk=C:\Users\drana\Desktop\work\Scratch\G09\MarkG\Energy\G09\uccsd_C_atom.chk
+ -------------------------------
+ # uccsd/3-21g geom=connectivity
+ -------------------------------
+ 1/38=1,57=2/1;
+ 2/12=2,17=6,18=5,40=1/2;
+ 3/5=5,11=2,16=1,25=1,30=1,116=2/1,2,3;
+ 4//1;
+ 5/5=2,38=5/2;
+ 8/6=4,9=120000,10=1/1,4;
+ 9/5=7/13;
+ 6/7=2,8=2,9=2,10=2/1;
+ 99/5=1,9=1/99;
+ -------------------
+ Title Card Required
+ -------------------
+ Symbolic Z-matrix:
+ Charge =  0 Multiplicity = 3
+ C                     1.0251    0.95711   0. 
+ 
+                          Input orientation:                          
+ ---------------------------------------------------------------------
+ Center     Atomic      Atomic             Coordinates (Angstroms)
+ Number     Number       Type             X           Y           Z
+ ---------------------------------------------------------------------
+      1          6           0        1.025105    0.957113    0.000000
+ ---------------------------------------------------------------------
+ Stoichiometry    C(3)
+ Framework group  OH[O(C)]
+ Deg. of freedom     0
+ Full point group                 OH      NOp  48
+ Largest Abelian subgroup         D2H     NOp   8
+ Largest concise Abelian subgroup C1      NOp   1
+                         Standard orientation:                         
+ ---------------------------------------------------------------------
+ Center     Atomic      Atomic             Coordinates (Angstroms)
+ Number     Number       Type             X           Y           Z
+ ---------------------------------------------------------------------
+      1          6           0        0.000000    0.000000    0.000000
+ ---------------------------------------------------------------------
+ Standard basis: 3-21G (6D, 7F)
+ There are     3 symmetry adapted cartesian basis functions of AG  symmetry.
+ There are     0 symmetry adapted cartesian basis functions of B1G symmetry.
+ There are     0 symmetry adapted cartesian basis functions of B2G symmetry.
+ There are     0 symmetry adapted cartesian basis functions of B3G symmetry.
+ There are     0 symmetry adapted cartesian basis functions of AU  symmetry.
+ There are     2 symmetry adapted cartesian basis functions of B1U symmetry.
+ There are     2 symmetry adapted cartesian basis functions of B2U symmetry.
+ There are     2 symmetry adapted cartesian basis functions of B3U symmetry.
+ There are     3 symmetry adapted basis functions of AG  symmetry.
+ There are     0 symmetry adapted basis functions of B1G symmetry.
+ There are     0 symmetry adapted basis functions of B2G symmetry.
+ There are     0 symmetry adapted basis functions of B3G symmetry.
+ There are     0 symmetry adapted basis functions of AU  symmetry.
+ There are     2 symmetry adapted basis functions of B1U symmetry.
+ There are     2 symmetry adapted basis functions of B2U symmetry.
+ There are     2 symmetry adapted basis functions of B3U symmetry.
+     9 basis functions,    15 primitive gaussians,     9 cartesian basis functions
+     4 alpha electrons        2 beta electrons
+       nuclear repulsion energy         0.0000000000 Hartrees.
+ NAtoms=    1 NActive=    1 NUniq=    1 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
+ Integral buffers will be    262144 words long.
+ Raffenetti 2 integral format.
+ Two-electron integral symmetry is turned on.
+ One-electron integrals computed using PRISM.
+ NBasis=     9 RedAO= T EigKep=  6.75D-01  NBF=     3     0     0     0     0     2     2     2
+ NBsUse=     9 1.00D-06 EigRej= -1.00D+00 NBFU=     3     0     0     0     0     2     2     2
+ ExpMin= 1.96D-01 ExpMax= 1.72D+02 ExpMxC= 1.72D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
+ Harris functional with IExCor=  205 and IRadAn=       1 diagonalized for initial guess.
+ HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1 UseB2=F ITyADJ=14
+ ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
+ FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
+         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
+         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
+         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
+ Petite list used in FoFCou.
+ Initial guess orbital symmetries:
+ Alpha Orbitals:
+       Occupied  (A1G) (A1G) (T1U) (T1U)
+       Virtual   (T1U) (T1U) (T1U) (T1U) (A1G)
+ Beta  Orbitals:
+       Occupied  (A1G) (A1G)
+       Virtual   (T1U) (T1U) (T1U) (T1U) (T1U) (T1U) (A1G)
+ Initial guess <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 1.0000 <S**2>= 2.0000 S= 1.0000
+ Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=822740.
+ Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
+ Requested convergence on MAX density matrix=1.00D-06.
+ Requested convergence on             energy=1.00D-06.
+ No special actions if energy rises.
+ Density matrix breaks symmetry, PCut= 1.00D-04
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ SCF Done:  E(UHF) =  -37.4810698326     A.U. after    6 cycles
+            NFock=  6  Conv=0.55D-08     -V/T= 2.0033
+ <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 1.0000 <S**2>= 2.0010 S= 1.0003
+ <L.S>= 0.000000000000E+00
+ Annihilation of the first spin contaminant:
+ S**2 before annihilation     2.0010,   after     2.0000
+ ExpMin= 1.96D-01 ExpMax= 1.72D+02 ExpMxC= 1.72D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
+ HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         5 IDoV=-2 UseB2=F ITyADJ=14
+ ICtDFT= 12500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
+ Range of M.O.s used for correlation:     2     9
+ NBasis=     9 NAE=     4 NBE=     2 NFC=     1 NFV=     0
+ NROrb=      8 NOA=     3 NOB=     1 NVA=     5 NVB=     7
+ Semi-Direct transformation.
+ ModeAB=           2 MOrb=             3 LenV=      33458373
+ LASXX=           66 LTotXX=          66 LenRXX=          66
+ LTotAB=         132 MaxLAS=        1080 LenRXY=        1080
+ NonZer=        1368 LenScr=     1048064 LnRSAI=           0
+ LnScr1=           0 LExtra=           0 Total=      1049210
+ MaxDsk=          -1 SrtSym=           F ITran=            4
+ JobTyp=1 Pass  1:  I=   1 to   3.
+ (rs|ai) integrals will be sorted in core.
+ ModeAB=           2 MOrb=             1 LenV=      33458373
+ LASXX=           28 LTotXX=          28 LenRXX=         360
+ LTotAB=          20 MaxLAS=         360 LenRXY=          20
+ NonZer=         456 LenScr=     1048064 LnRSAI=           0
+ LnScr1=           0 LExtra=           0 Total=      1048444
+ MaxDsk=          -1 SrtSym=           F ITran=            4
+ JobTyp=2 Pass  1:  I=   1 to   1.
+ (rs|ai) integrals will be sorted in core.
+ Spin components of T(2) and E(2):
+     alpha-alpha T2 =       0.1539858699D-02 E2=     -0.4542240933D-02
+     alpha-beta  T2 =       0.8342095977D-02 E2=     -0.1907164950D-01
+     beta-beta   T2 =       0.0000000000D+00 E2=      0.0000000000D+00
+ ANorm=    0.1004928831D+01
+ E2 =    -0.2361389043D-01 EUMP2 =    -0.37504683723025D+02
+ (S**2,0)=  0.20010D+01           (S**2,1)=  0.20001D+01
+ E(PUHF)=      -0.37481383594D+02        E(PMP2)=      -0.37504849457D+02
+ Keep R2 and R3 ints in memory in symmetry-blocked form, NReq=802872.
+ Iterations=  50 Convergence= 0.100D-06
+ Iteration Nr.   1
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ E(PMP3)=      -0.37512313510D+02
+ MP4(R+Q)=  0.19195405D-03
+ E3=       -0.75521070D-02        EUMP3=      -0.37512235830D+02
+ E4(DQ)=   -0.27959200D-02        UMP4(DQ)=   -0.37515031750D+02
+ E4(SDQ)=  -0.28114103D-02        UMP4(SDQ)=  -0.37515047240D+02
+ DE(Corr)= -0.30974220E-01 E(Corr)=     -37.512044053    
+ NORM(A)=   0.10116679D+01
+ Iteration Nr.   2
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ DE(Corr)= -0.34987698E-01 E(CORR)=     -37.516057530     Delta=-4.01D-03
+ NORM(A)=   0.10140179D+01
+ Iteration Nr.   3
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ DE(Corr)= -0.36028974E-01 E(CORR)=     -37.517098807     Delta=-1.04D-03
+ NORM(A)=   0.10142146D+01
+ Iteration Nr.   4
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ DE(Corr)= -0.36098709E-01 E(CORR)=     -37.517168542     Delta=-6.97D-05
+ NORM(A)=   0.10141609D+01
+ Iteration Nr.   5
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ DE(Corr)= -0.36075425E-01 E(CORR)=     -37.517145257     Delta= 2.33D-05
+ NORM(A)=   0.10141784D+01
+ Iteration Nr.   6
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ DE(Corr)= -0.36082625E-01 E(CORR)=     -37.517152457     Delta=-7.20D-06
+ NORM(A)=   0.10141757D+01
+ Iteration Nr.   7
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ DE(Corr)= -0.36081518E-01 E(CORR)=     -37.517151351     Delta= 1.11D-06
+ NORM(A)=   0.10141759D+01
+ Iteration Nr.   8
+ **********************
+ DD1Dir will call FoFMem   1 times, MxPair=        10
+ NAB=     3 NAA=     3 NBB=     0.
+ DE(Corr)= -0.36081594E-01 E(CORR)=     -37.517151426     Delta=-7.52D-08
+ NORM(A)=   0.10141759D+01
+ Dominant configurations:
+ ***********************
+ Spin Case        I    J    A    B          Value
+   ABAB           2    2    5    3      -0.136608D+00
+ Largest amplitude= 1.37D-01
+
+ S**2, projected HF & approx projected MPn energies after annihilation of
+ unwanted spin states (see manual for definitions):
+
+ spins       (S**2,0) (S**2,1)    PUHF        PMP2        PMP3        PMP4
+ annihilated
+ s+1         2.00000  2.00000  -37.481384  -37.504849  -37.512314
+
+ Discarding MO integrals.
+
+ **********************************************************************
+
+            Population analysis using the SCF density.
+
+ **********************************************************************
+
+ Orbital symmetries:
+ Alpha Orbitals:
+       Occupied  (A1G) (A1G) (?A) (?A)
+       Virtual   (?A) (?A) (?A) (?A) (A1G)
+ Beta  Orbitals:
+       Occupied  (A1G) (A1G)
+       Virtual   (?A) (?A) (?A) (?A) (?A) (?A) (A1G)
+ Unable to determine electronic state:  an orbital has unidentified symmetry.
+ Alpha  occ. eigenvalues --  -11.27250  -0.81446  -0.42596  -0.42596
+ Alpha virt. eigenvalues --    0.05294   0.89798   0.89798   0.97612   1.24659
+  Beta  occ. eigenvalues --  -11.23139  -0.57527
+  Beta virt. eigenvalues --    0.10809   0.16273   0.16273   1.01164   1.06359
+  Beta virt. eigenvalues --    1.06359   1.33242
+          Condensed to atoms (all electrons):
+               1
+     1  C    6.000000
+          Atomic-Atomic Spin Densities.
+               1
+     1  C    2.000000
+ Mulliken charges and spin densities:
+               1          2
+     1  C    0.000000   2.000000
+ Sum of Mulliken charges =   0.00000   2.00000
+ Mulliken charges and spin densities with hydrogens summed into heavy atoms:
+               1          2
+     1  C    0.000000   2.000000
+ Electronic spatial extent (au):  <R**2>=             13.3032
+ Charge=              0.0000 electrons
+ Dipole moment (field-independent basis, Debye):
+    X=              0.0000    Y=              0.0000    Z=              0.0000  Tot=              0.0000
+ Quadrupole moment (field-independent basis, Debye-Ang):
+   XX=             -4.7201   YY=             -6.5866   ZZ=             -6.5866
+   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
+ Traceless Quadrupole moment (field-independent basis, Debye-Ang):
+   XX=              1.2443   YY=             -0.6222   ZZ=             -0.6222
+   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
+ Octapole moment (field-independent basis, Debye-Ang**2):
+  XXX=              0.0000  YYY=              0.0000  ZZZ=              0.0000  XYY=              0.0000
+  XXY=              0.0000  XXZ=              0.0000  XZZ=              0.0000  YZZ=              0.0000
+  YYZ=              0.0000  XYZ=              0.0000
+ Hexadecapole moment (field-independent basis, Debye-Ang**3):
+ XXXX=             -4.1347 YYYY=             -7.1820 ZZZZ=             -7.1820 XXXY=              0.0000
+ XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
+ ZZZY=              0.0000 XXYY=             -1.8861 XXZZ=             -1.8861 YYZZ=             -2.3940
+ XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
+ N-N= 0.000000000000D+00 E-N=-8.757280191249D+01  KE= 3.735620893854D+01
+ Symmetry AG   KE= 3.487097636732D+01
+ Symmetry B1G  KE= 0.000000000000D+00
+ Symmetry B2G  KE= 0.000000000000D+00
+ Symmetry B3G  KE= 0.000000000000D+00
+ Symmetry AU   KE= 0.000000000000D+00
+ Symmetry B1U  KE= 1.242616285610D+00
+ Symmetry B2U  KE= 1.242616285610D+00
+ Symmetry B3U  KE= 4.658757089566D-33
+ 1|1|UNPC-DUMINDA-T480S|SP|UCCSD-FC|3-21G|C1(3)|DRANA|07-Nov-2019|0||# 
+ uccsd/3-21g geom=connectivity||Title Card Required||0,3|C,0,1.02510459
+ ,0.95711297,0.||Version=IA32W-G09RevD.01|HF=-37.4810698|MP2=-37.504683
+ 7|MP3=-37.5122358|MP4D=-37.5152237|MP4DQ=-37.5150318|PUHF=-37.4813836|
+ PMP2-0=-37.5048495|PMP3-0=-37.5123135|MP4SDQ=-37.5150472|CCSD=-37.5171
+ 514|S2=2.000971|S2-1=2.000055|S2A=2.|RMSD=5.455e-009|PG=OH [O(C1)]||@
+
+
+ I am not a vegetarian because I love animals;
+ I am a vegetarian because I hate plants.
+                               -- A. Whitney Brown
+ Job cpu time:       0 days  0 hours  0 minutes  2.0 seconds.
+ File lengths (MBytes):  RWF=     14 Int=      0 D2E=      0 Chk=      1 Scr=      1
+ Normal termination of Gaussian 09 at Thu Nov 07 16:40:06 2019.
diff --git a/arkane/data/UMP2_C_ATOM.LOG b/arkane/data/UMP2_C_ATOM.LOG
new file mode 100755
index 00000000000..b71d7a22a48
--- /dev/null
+++ b/arkane/data/UMP2_C_ATOM.LOG
@@ -0,0 +1,274 @@
+ Entering Link 1 = C:\G09W\l1.exe PID=     24808.
+  
+ Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
+            Gaussian, Inc.  All Rights Reserved.
+  
+ This is part of the Gaussian(R) 09 program.  It is based on
+ the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
+ the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
+ the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
+ the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
+ the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
+ the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
+ the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
+ University), and the Gaussian 82(TM) system (copyright 1983,
+ Carnegie Mellon University). Gaussian is a federally registered
+ trademark of Gaussian, Inc.
+  
+ This software contains proprietary and confidential information,
+ including trade secrets, belonging to Gaussian, Inc.
+  
+ This software is provided under written license and may be
+ used, copied, transmitted, or stored only in accord with that
+ written license.
+  
+ The following legend is applicable only to US Government
+ contracts under FAR:
+  
+                    RESTRICTED RIGHTS LEGEND
+  
+ Use, reproduction and disclosure by the US Government is
+ subject to restrictions as set forth in subparagraphs (a)
+ and (c) of the Commercial Computer Software - Restricted
+ Rights clause in FAR 52.227-19.
+  
+ Gaussian, Inc.
+ 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
+  
+  
+ ---------------------------------------------------------------
+ Warning -- This program may not be used in any manner that
+ competes with the business of Gaussian, Inc. or will provide
+ assistance to any competitor of Gaussian, Inc.  The licensee
+ of this program is prohibited from giving any competitor of
+ Gaussian, Inc. access to this program.  By using this program,
+ the user acknowledges that Gaussian, Inc. is engaged in the
+ business of creating and licensing software in the field of
+ computational chemistry and represents and warrants to the
+ licensee that it is not a competitor of Gaussian, Inc. and that
+ it will not use this program in any manner prohibited above.
+ ---------------------------------------------------------------
+  
+
+ Cite this work as:
+ Gaussian 09, Revision D.01,
+ M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
+ M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
+ G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
+ A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
+ M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
+ Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
+ J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
+ K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
+ K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
+ M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
+ V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
+ O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
+ R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
+ P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
+ O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
+ and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
+ 
+ ******************************************
+ Gaussian 09:  IA32W-G09RevD.01 24-Apr-2013
+                07-Nov-2019 
+ ******************************************
+ %chk=C:\Users\drana\Desktop\work\Scratch\G09\MarkG\Energy\G09\ump2_C_atom.chk
+ ------------------------------
+ # ump2/3-21g geom=connectivity
+ ------------------------------
+ 1/38=1,57=2/1;
+ 2/12=2,17=6,18=5,40=1/2;
+ 3/5=5,11=2,16=1,25=1,30=1,116=2/1,2,3;
+ 4//1;
+ 5/5=2,38=5/2;
+ 8/10=1/1;
+ 9/16=-3/6;
+ 6/7=2,8=2,9=2,10=2/1;
+ 99/5=1,9=1/99;
+ -------------------
+ Title Card Required
+ -------------------
+ Symbolic Z-matrix:
+ Charge =  0 Multiplicity = 3
+ C                     1.0251    0.95711   0. 
+ 
+                          Input orientation:                          
+ ---------------------------------------------------------------------
+ Center     Atomic      Atomic             Coordinates (Angstroms)
+ Number     Number       Type             X           Y           Z
+ ---------------------------------------------------------------------
+      1          6           0        1.025105    0.957113    0.000000
+ ---------------------------------------------------------------------
+ Stoichiometry    C(3)
+ Framework group  OH[O(C)]
+ Deg. of freedom     0
+ Full point group                 OH      NOp  48
+ Largest Abelian subgroup         D2H     NOp   8
+ Largest concise Abelian subgroup C1      NOp   1
+                         Standard orientation:                         
+ ---------------------------------------------------------------------
+ Center     Atomic      Atomic             Coordinates (Angstroms)
+ Number     Number       Type             X           Y           Z
+ ---------------------------------------------------------------------
+      1          6           0        0.000000    0.000000    0.000000
+ ---------------------------------------------------------------------
+ Standard basis: 3-21G (6D, 7F)
+ There are     3 symmetry adapted cartesian basis functions of AG  symmetry.
+ There are     0 symmetry adapted cartesian basis functions of B1G symmetry.
+ There are     0 symmetry adapted cartesian basis functions of B2G symmetry.
+ There are     0 symmetry adapted cartesian basis functions of B3G symmetry.
+ There are     0 symmetry adapted cartesian basis functions of AU  symmetry.
+ There are     2 symmetry adapted cartesian basis functions of B1U symmetry.
+ There are     2 symmetry adapted cartesian basis functions of B2U symmetry.
+ There are     2 symmetry adapted cartesian basis functions of B3U symmetry.
+ There are     3 symmetry adapted basis functions of AG  symmetry.
+ There are     0 symmetry adapted basis functions of B1G symmetry.
+ There are     0 symmetry adapted basis functions of B2G symmetry.
+ There are     0 symmetry adapted basis functions of B3G symmetry.
+ There are     0 symmetry adapted basis functions of AU  symmetry.
+ There are     2 symmetry adapted basis functions of B1U symmetry.
+ There are     2 symmetry adapted basis functions of B2U symmetry.
+ There are     2 symmetry adapted basis functions of B3U symmetry.
+     9 basis functions,    15 primitive gaussians,     9 cartesian basis functions
+     4 alpha electrons        2 beta electrons
+       nuclear repulsion energy         0.0000000000 Hartrees.
+ NAtoms=    1 NActive=    1 NUniq=    1 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
+ Integral buffers will be    262144 words long.
+ Raffenetti 2 integral format.
+ Two-electron integral symmetry is turned on.
+ One-electron integrals computed using PRISM.
+ NBasis=     9 RedAO= T EigKep=  6.75D-01  NBF=     3     0     0     0     0     2     2     2
+ NBsUse=     9 1.00D-06 EigRej= -1.00D+00 NBFU=     3     0     0     0     0     2     2     2
+ ExpMin= 1.96D-01 ExpMax= 1.72D+02 ExpMxC= 1.72D+02 IAcc=1 IRadAn=         1 AccDes= 0.00D+00
+ Harris functional with IExCor=  205 and IRadAn=       1 diagonalized for initial guess.
+ HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         1 IDoV= 1 UseB2=F ITyADJ=14
+ ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
+ FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
+         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
+         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
+         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
+ Petite list used in FoFCou.
+ Initial guess orbital symmetries:
+ Alpha Orbitals:
+       Occupied  (A1G) (A1G) (T1U) (T1U)
+       Virtual   (T1U) (T1U) (T1U) (T1U) (A1G)
+ Beta  Orbitals:
+       Occupied  (A1G) (A1G)
+       Virtual   (T1U) (T1U) (T1U) (T1U) (T1U) (T1U) (A1G)
+ Initial guess <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 1.0000 <S**2>= 2.0000 S= 1.0000
+ Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=822740.
+ Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
+ Requested convergence on MAX density matrix=1.00D-06.
+ Requested convergence on             energy=1.00D-06.
+ No special actions if energy rises.
+ Density matrix breaks symmetry, PCut= 1.00D-04
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ Density matrix breaks symmetry, PCut= 1.00D-07
+ Density has only Abelian symmetry.
+ SCF Done:  E(UHF) =  -37.4810698326     A.U. after    6 cycles
+            NFock=  6  Conv=0.55D-08     -V/T= 2.0033
+ <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 1.0000 <S**2>= 2.0010 S= 1.0003
+ <L.S>= 0.000000000000E+00
+ Annihilation of the first spin contaminant:
+ S**2 before annihilation     2.0010,   after     2.0000
+ ExpMin= 1.96D-01 ExpMax= 1.72D+02 ExpMxC= 1.72D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
+ HarFok:  IExCor=  205 AccDes= 0.00D+00 IRadAn=         5 IDoV=-2 UseB2=F ITyADJ=14
+ ICtDFT= 12500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
+ Range of M.O.s used for correlation:     2     9
+ NBasis=     9 NAE=     4 NBE=     2 NFC=     1 NFV=     0
+ NROrb=      8 NOA=     3 NOB=     1 NVA=     5 NVB=     7
+ Fully in-core method, ICMem=     6005742.
+ JobTyp=2 Pass  1 fully in-core, NPsUse=  1.
+ Spin components of T(2) and E(2):
+     alpha-alpha T2 =       0.1539858699D-02 E2=     -0.4542240933D-02
+     alpha-beta  T2 =       0.8342095977D-02 E2=     -0.1907164950D-01
+     beta-beta   T2 =       0.0000000000D+00 E2=      0.0000000000D+00
+ (S**2,0)=  0.20010D+01           (S**2,1)=  0.20001D+01
+ E(PUHF)=      -0.37481383594D+02        E(PMP2)=      -0.37504849457D+02
+ ANorm=    0.1004928831D+01
+ E2 =    -0.2361389043D-01 EUMP2 =    -0.37504683723025D+02
+
+ **********************************************************************
+
+            Population analysis using the SCF density.
+
+ **********************************************************************
+
+ Orbital symmetries:
+ Alpha Orbitals:
+       Occupied  (A1G) (A1G) (?A) (?A)
+       Virtual   (?A) (?A) (?A) (?A) (A1G)
+ Beta  Orbitals:
+       Occupied  (A1G) (A1G)
+       Virtual   (?A) (?A) (?A) (?A) (?A) (?A) (A1G)
+ Unable to determine electronic state:  an orbital has unidentified symmetry.
+ Alpha  occ. eigenvalues --  -11.27250  -0.81446  -0.42596  -0.42596
+ Alpha virt. eigenvalues --    0.05294   0.89798   0.89798   0.97612   1.24659
+  Beta  occ. eigenvalues --  -11.23139  -0.57527
+  Beta virt. eigenvalues --    0.10809   0.16273   0.16273   1.01164   1.06359
+  Beta virt. eigenvalues --    1.06359   1.33242
+          Condensed to atoms (all electrons):
+               1
+     1  C    6.000000
+          Atomic-Atomic Spin Densities.
+               1
+     1  C    2.000000
+ Mulliken charges and spin densities:
+               1          2
+     1  C    0.000000   2.000000
+ Sum of Mulliken charges =   0.00000   2.00000
+ Mulliken charges and spin densities with hydrogens summed into heavy atoms:
+               1          2
+     1  C    0.000000   2.000000
+ Electronic spatial extent (au):  <R**2>=             13.3032
+ Charge=              0.0000 electrons
+ Dipole moment (field-independent basis, Debye):
+    X=              0.0000    Y=              0.0000    Z=              0.0000  Tot=              0.0000
+ Quadrupole moment (field-independent basis, Debye-Ang):
+   XX=             -4.7201   YY=             -6.5866   ZZ=             -6.5866
+   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
+ Traceless Quadrupole moment (field-independent basis, Debye-Ang):
+   XX=              1.2443   YY=             -0.6222   ZZ=             -0.6222
+   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
+ Octapole moment (field-independent basis, Debye-Ang**2):
+  XXX=              0.0000  YYY=              0.0000  ZZZ=              0.0000  XYY=              0.0000
+  XXY=              0.0000  XXZ=              0.0000  XZZ=              0.0000  YZZ=              0.0000
+  YYZ=              0.0000  XYZ=              0.0000
+ Hexadecapole moment (field-independent basis, Debye-Ang**3):
+ XXXX=             -4.1347 YYYY=             -7.1820 ZZZZ=             -7.1820 XXXY=              0.0000
+ XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
+ ZZZY=              0.0000 XXYY=             -1.8861 XXZZ=             -1.8861 YYZZ=             -2.3940
+ XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
+ N-N= 0.000000000000D+00 E-N=-8.757280191249D+01  KE= 3.735620893854D+01
+ Symmetry AG   KE= 3.487097636732D+01
+ Symmetry B1G  KE= 0.000000000000D+00
+ Symmetry B2G  KE= 0.000000000000D+00
+ Symmetry B3G  KE= 0.000000000000D+00
+ Symmetry AU   KE= 0.000000000000D+00
+ Symmetry B1U  KE= 1.242616285610D+00
+ Symmetry B2U  KE= 1.242616285610D+00
+ Symmetry B3U  KE= 4.658757089566D-33
+ 1|1|UNPC-DUMINDA-T480S|SP|UMP2-FC|3-21G|C1(3)|DRANA|07-Nov-2019|0||# u
+ mp2/3-21g geom=connectivity||Title Card Required||0,3|C,0,1.02510459,0
+ .95711297,0.||Version=IA32W-G09RevD.01|HF=-37.4810698|MP2=-37.5046837|
+ PUHF=-37.4813836|PMP2-0=-37.5048495|S2=2.000971|S2-1=2.000055|S2A=2.|R
+ MSD=5.455e-009|PG=OH [O(C1)]||@
+
+
+ I am not a vegetarian because I love animals;
+ I am a vegetarian because I hate plants.
+                               -- A. Whitney Brown
+ Job cpu time:       0 days  0 hours  0 minutes  1.0 seconds.
+ File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=      1
+ Normal termination of Gaussian 09 at Thu Nov 07 16:40:29 2019.
diff --git a/arkane/gaussian.py b/arkane/gaussian.py
index a514df546ac..13bedfc86e2 100644
--- a/arkane/gaussian.py
+++ b/arkane/gaussian.py
@@ -45,6 +45,7 @@
 from arkane.exceptions import LogError
 from arkane.log import Log
 
+
 ################################################################################
 
 
@@ -212,7 +213,7 @@ def load_conformer(self, symmetry=None, spin_multiplicity=0, optical_isomers=Non
                         elif 'Rotational constant (GHZ):' in line:
                             inertia = [float(line.split()[3])]
                             inertia[0] = constants.h / (8 * constants.pi * constants.pi * inertia[0] * 1e9) \
-                                * constants.Na * 1e23
+                                         * constants.Na * 1e23
                             rotation = LinearRotor(inertia=(inertia[0], "amu*angstrom^2"), symmetry=symmetry)
                             modes.append(rotation)
 
@@ -265,13 +266,26 @@ def load_energy(self, zpe_scale_factor=1.):
         CBS-QB3 value.
         """
         e_elect, e0_composite, scaled_zpe = None, None, None
-
+        elect_energy_source = ''
         with open(self.path, 'r') as f:
             line = f.readline()
             while line != '':
 
                 if 'SCF Done:' in line:
                     e_elect = float(line.split()[4]) * constants.E_h * constants.Na
+                    elect_energy_source = 'SCF'
+                elif ' E2(' in line and ' E(' in line:
+                    e_elect = float(line.split()[-1].replace('D', 'E')) * constants.E_h * constants.Na
+                    elect_energy_source = 'doublehybrd or MP2'
+                elif 'MP2 =' in line:
+                    e_elect = float(line.split()[-1].replace('D', 'E')) * constants.E_h * constants.Na
+                    elect_energy_source = 'MP2'
+                elif 'E(CORR)=' in line:
+                    e_elect = float(line.split()[3]) * constants.E_h * constants.Na
+                    elect_energy_source = 'CCSD'
+                elif 'CCSD(T)= ' in line:
+                    e_elect = float(line.split()[1].replace('D', 'E')) * constants.E_h * constants.Na
+                    elect_energy_source = 'CCSD(T)'
                 elif 'CBS-QB3 (0 K)' in line:
                     e0_composite = float(line.split()[3]) * constants.E_h * constants.Na
                 elif 'G3(0 K)' in line:
@@ -294,10 +308,12 @@ def load_energy(self, zpe_scale_factor=1.):
                 line = f.readline()
 
         if e0_composite is not None:
+            logging.debug("Using the composite energy from the gaussian output file")
             if scaled_zpe is None:
                 raise LogError('Unable to find zero-point energy in Gaussian log file.')
             return e0_composite - scaled_zpe
         elif e_elect is not None:
+            logging.debug("Using the {0} energy from the gaussian output file".format(elect_energy_source))
             return e_elect
         else:
             raise LogError('Unable to find energy in Gaussian log file.')
diff --git a/arkane/gaussianTest.py b/arkane/gaussianTest.py
index 3d60188f099..73c10ebe059 100644
--- a/arkane/gaussianTest.py
+++ b/arkane/gaussianTest.py
@@ -44,6 +44,7 @@
 from arkane.statmech import determine_qm_software
 from arkane.exceptions import LogError
 
+
 ################################################################################
 
 
@@ -81,6 +82,27 @@ def test_load_ethylene_from_gaussian_log_cbsqb3(self):
         self.assertEqual(conformer.spin_multiplicity, 1)
         self.assertEqual(conformer.optical_isomers, 1)
 
+    def test_gaussian_energies(self):
+        """
+        test parsing double hydride, MP2, CCSD, CCSD(T) form Gaussian log
+        """
+        log_doublehybrid = GaussianLog(os.path.join(os.path.dirname(__file__), 'data', 'B2PLYP.LOG'))
+        log_mp2 = GaussianLog(os.path.join(os.path.dirname(__file__), 'data', 'UMP2_C_ATOM.LOG'))
+        log_ccsd = GaussianLog(os.path.join(os.path.dirname(__file__), 'data', 'UCCSD_C_ATOM.LOG'))
+        log_ccsdt = GaussianLog(os.path.join(os.path.dirname(__file__), 'data', 'UCCSDT_C_ATOM.LOG'))
+        log_qb3 = GaussianLog(os.path.join(os.path.dirname(__file__), '../examples/arkane/species/C2H5/', 'ethyl_cbsqb3.log'))
+
+        self.assertAlmostEqual(log_doublehybrid.load_energy() / constants.Na / constants.E_h, -0.40217794572194e+02,
+                               delta=1e-6)
+        self.assertAlmostEqual(log_mp2.load_energy() / constants.Na / constants.E_h, -0.37504683723025e+02,
+                               delta=1e-6)
+        self.assertAlmostEqual(log_ccsd.load_energy() / constants.Na / constants.E_h, -37.517151426,
+                               delta=1e-6)
+        self.assertAlmostEqual(log_ccsdt.load_energy() / constants.Na / constants.E_h, -0.37517454469e+02,
+                               delta=1e-6)
+        self.assertAlmostEqual(log_qb3.load_energy() / constants.Na / constants.E_h, -79.029798,
+                               delta=1e-6)
+
     def test_load_oxygen_from_gaussian_log(self):
         """
         Uses a Gaussian03 log file for oxygen (O2) to test that its