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|
Entering Link 1 = C:\G09W\l1.exe PID= 26556.
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009, 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 A.02,
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, 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, 2009.
******************************************
Gaussian 09: IA32W-G09RevA.02 11-Jun-2009
21-Mar-2019
******************************************
%chk=C:\Google Drive\Rob Paton CSU\Project GoodVibes Guilian\media test\MeOH.chk
-----------------------------------------
# opt freq b3lyp/sto-3g geom=connectivity
-----------------------------------------
1/14=-1,18=20,19=15,26=3,38=1,57=2/1,3;
2/9=110,12=2,17=6,18=5,40=1/2;
3/6=3,11=2,16=1,25=1,30=1,71=1,74=-5/1,2,3;
4//1;
5/5=2,38=5/2;
6/7=2,8=2,9=2,10=2,28=1/1;
7//1,2,3,16;
1/14=-1,18=20,19=15/3(2);
2/9=110/2;
99//99;
2/9=110/2;
3/6=3,11=2,16=1,25=1,30=1,71=1,74=-5/1,2,3;
4/5=5,16=3/1;
5/5=2,38=5/2;
7//1,2,3,16;
1/14=-1,18=20,19=15/3(-5);
2/9=110/2;
6/7=2,8=2,9=2,10=2,19=2,28=1/1;
99/9=1/99;
-------------------
Title Card Required
-------------------
Symbolic Z-matrix:
Charge = 0 Multiplicity = 1
C 0.68068 -0.01552 0.
H 1.10282 1.00718 -0.00058
H 1.0664 -0.54563 0.89946
H 1.06632 -0.54662 -0.8989
O -0.77996 0.12912 0.
H -1.07994 -0.85472 0.00001
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
Berny optimization.
Initialization pass.
----------------------------
! Initial Parameters !
! (Angstroms and Degrees) !
-------------------------- --------------------------
! Name Definition Value Derivative Info. !
--------------------------------------------------------------------------------
! R1 R(1,2) 1.1064 estimate D2E/DX2 !
! R2 R(1,3) 1.113 estimate D2E/DX2 !
! R3 R(1,4) 1.113 estimate D2E/DX2 !
! R4 R(1,5) 1.4678 estimate D2E/DX2 !
! R5 R(5,6) 1.0286 estimate D2E/DX2 !
! A1 A(2,1,3) 107.9654 estimate D2E/DX2 !
! A2 A(2,1,4) 107.9662 estimate D2E/DX2 !
! A3 A(2,1,5) 106.7739 estimate D2E/DX2 !
! A4 A(3,1,4) 107.7775 estimate D2E/DX2 !
! A5 A(3,1,5) 113.0663 estimate D2E/DX2 !
! A6 A(4,1,5) 113.0679 estimate D2E/DX2 !
! A7 A(1,5,6) 101.3017 estimate D2E/DX2 !
! D1 D(2,1,5,6) 179.9692 estimate D2E/DX2 !
! D2 D(3,1,5,6) -61.4433 estimate D2E/DX2 !
! D3 D(4,1,5,6) 61.3798 estimate D2E/DX2 !
--------------------------------------------------------------------------------
Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06
Number of steps in this run= 25 maximum allowed number of steps= 100.
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
Input orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.680681 -0.015524 -0.000002
2 1 0 1.102821 1.007184 -0.000577
3 1 0 1.066403 -0.545634 0.899463
4 1 0 1.066324 -0.546624 -0.898904
5 8 0 -0.779961 0.129117 0.000003
6 1 0 -1.079944 -0.854720 0.000008
---------------------------------------------------------------------
Distance matrix (angstroms):
1 2 3 4 5
1 C 0.000000
2 H 1.106406 0.000000
3 H 1.113030 1.795172 0.000000
4 H 1.113020 1.795172 1.798367 0.000000
5 O 1.467786 2.077467 2.161800 2.161811 0.000000
6 H 1.950397 2.868998 2.347628 2.347218 1.028555
6
6 H 0.000000
Stoichiometry CH4O
Framework group C1[X(CH4O)]
Deg. of freedom 12
Full point group C1 NOp 1
Largest Abelian subgroup C1 NOp 1
Largest concise Abelian subgroup C1 NOp 1
Standard orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.680681 -0.015524 -0.000002
2 1 0 1.102821 1.007184 -0.000577
3 1 0 1.066403 -0.545634 0.899463
4 1 0 1.066324 -0.546624 -0.898904
5 8 0 -0.779961 0.129117 0.000003
6 1 0 -1.079944 -0.854720 0.000008
---------------------------------------------------------------------
Rotational constants (GHZ): 120.4733728 23.4973903 22.5179446
Standard basis: STO-3G (5D, 7F)
There are 14 symmetry adapted basis functions of A symmetry.
Integral buffers will be 262144 words long.
Raffenetti 2 integral format.
Two-electron integral symmetry is turned on.
14 basis functions, 42 primitive gaussians, 14 cartesian basis functions
9 alpha electrons 9 beta electrons
nuclear repulsion energy 39.0975612907 Hartrees.
NAtoms= 6 NActive= 6 NUniq= 6 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F
One-electron integrals computed using PRISM.
NBasis= 14 RedAO= T NBF= 14
NBsUse= 14 1.00D-06 NBFU= 14
Harris functional with IExCor= 402 diagonalized for initial guess.
ExpMin= 1.69D-01 ExpMax= 1.31D+02 ExpMxC= 1.31D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00
HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1
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
Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
I1Cent= 4 NGrid= 0.
Petite list used in FoFCou.
Initial guess orbital symmetries:
Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A)
Virtual (A) (A) (A) (A) (A)
The electronic state of the initial guess is 1-A.
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.
Keep R1 ints in memory in canonical form, NReq=927997.
Integral accuracy reduced to 1.0D-05 until final iterations.
Initial convergence to 1.0D-05 achieved. Increase integral accuracy.
SCF Done: E(RB3LYP) = -114.179050125 A.U. after 11 cycles
Convg = 0.3915D-08 -V/T = 2.0151
**********************************************************************
Population analysis using the SCF density.
**********************************************************************
Orbital symmetries:
Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A)
Virtual (A) (A) (A) (A) (A)
The electronic state is 1-A.
Alpha occ. eigenvalues -- -18.87393 -10.04292 -0.93227 -0.63125 -0.42547
Alpha occ. eigenvalues -- -0.38619 -0.35051 -0.23896 -0.14296
Alpha virt. eigenvalues -- 0.29402 0.36055 0.43334 0.44207 0.45883
Condensed to atoms (all electrons):
1 2 3 4 5 6
1 C 4.810988 0.373775 0.366922 0.366929 0.251455 -0.034249
2 H 0.373775 0.603478 -0.021778 -0.021774 -0.017624 0.003579
3 H 0.366922 -0.021778 0.633544 -0.026514 -0.013445 -0.003655
4 H 0.366929 -0.021774 -0.026514 0.633533 -0.013439 -0.003665
5 O 0.251455 -0.017624 -0.013445 -0.013439 7.799571 0.232007
6 H -0.034249 0.003579 -0.003655 -0.003665 0.232007 0.641838
Mulliken atomic charges:
1
1 C -0.135819
2 H 0.080344
3 H 0.064926
4 H 0.064929
5 O -0.238525
6 H 0.164145
Sum of Mulliken atomic charges = 0.00000
Mulliken charges with hydrogens summed into heavy atoms:
1
1 C 0.074380
5 O -0.074380
Sum of Mulliken charges with hydrogens summed into heavy atoms = 0.00000
Electronic spatial extent (au): <R**2>= 85.0396
Charge= 0.0000 electrons
Dipole moment (field-independent basis, Debye):
X= 0.6478 Y= -1.2100 Z= -0.0001 Tot= 1.3725
Quadrupole moment (field-independent basis, Debye-Ang):
XX= -12.1019 YY= -11.1895 ZZ= -12.3326
XY= 1.4445 XZ= -0.0001 YZ= 0.0000
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX= -0.2272 YY= 0.6851 ZZ= -0.4580
XY= 1.4445 XZ= -0.0001 YZ= 0.0000
Octapole moment (field-independent basis, Debye-Ang**2):
XXX= -4.9602 YYY= 0.2504 ZZZ= 0.0007 XYY= -1.8856
XXY= -1.1467 XXZ= 0.0000 XZZ= -0.9930 YZZ= -0.3737
YYZ= -0.0008 XYZ= -0.0001
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= -58.1630 YYYY= -17.6281 ZZZZ= -15.5073 XXXY= 1.3360
XXXZ= 0.0000 YYYX= 1.3017 YYYZ= 0.0000 ZZZX= 0.0010
ZZZY= 0.0000 XXYY= -11.4967 XXZZ= -12.1859 YYZZ= -5.6350
XXYZ= -0.0001 YYXZ= -0.0011 ZZXY= -0.6270
N-N= 3.909756129072D+01 E-N=-3.459779463382D+02 KE= 1.124826257674D+02
Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
***** Axes restored to original set *****
-------------------------------------------------------------------
Center Atomic Forces (Hartrees/Bohr)
Number Number X Y Z
-------------------------------------------------------------------
1 6 0.000185332 0.000034886 0.000004693
2 1 0.000012736 0.000029717 0.000001034
3 1 -0.000065097 -0.000012705 -0.000002999
4 1 -0.000064512 -0.000011286 -0.000001343
5 8 -0.000075719 -0.000023713 -0.000005927
6 1 0.000007260 -0.000016900 0.000004543
-------------------------------------------------------------------
Cartesian Forces: Max 0.000185332 RMS 0.000053760
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
Berny optimization.
Internal Forces: Max 0.000083721 RMS 0.000044872
Search for a local minimum.
Step number 1 out of a maximum of 25
All quantities printed in internal units (Hartrees-Bohrs-Radians)
Mixed Optimization -- En-DIIS/RFO-DIIS
Second derivative matrix not updated -- first step.
The second derivative matrix:
R1 R2 R3 R4 R5
R1 0.32984
R2 0.00000 0.32281
R3 0.00000 0.00000 0.32282
R4 0.00000 0.00000 0.00000 0.36007
R5 0.00000 0.00000 0.00000 0.00000 0.43001
A1 0.00000 0.00000 0.00000 0.00000 0.00000
A2 0.00000 0.00000 0.00000 0.00000 0.00000
A3 0.00000 0.00000 0.00000 0.00000 0.00000
A4 0.00000 0.00000 0.00000 0.00000 0.00000
A5 0.00000 0.00000 0.00000 0.00000 0.00000
A6 0.00000 0.00000 0.00000 0.00000 0.00000
A7 0.00000 0.00000 0.00000 0.00000 0.00000
D1 0.00000 0.00000 0.00000 0.00000 0.00000
D2 0.00000 0.00000 0.00000 0.00000 0.00000
D3 0.00000 0.00000 0.00000 0.00000 0.00000
A1 A2 A3 A4 A5
A1 0.16000
A2 0.00000 0.16000
A3 0.00000 0.00000 0.16000
A4 0.00000 0.00000 0.00000 0.16000
A5 0.00000 0.00000 0.00000 0.00000 0.16000
A6 0.00000 0.00000 0.00000 0.00000 0.00000
A7 0.00000 0.00000 0.00000 0.00000 0.00000
D1 0.00000 0.00000 0.00000 0.00000 0.00000
D2 0.00000 0.00000 0.00000 0.00000 0.00000
D3 0.00000 0.00000 0.00000 0.00000 0.00000
A6 A7 D1 D2 D3
A6 0.16000
A7 0.00000 0.16000
D1 0.00000 0.00000 0.00795
D2 0.00000 0.00000 0.00000 0.00795
D3 0.00000 0.00000 0.00000 0.00000 0.00795
Eigenvalues --- 0.00795 0.09458 0.10213 0.16000 0.16000
Eigenvalues --- 0.16000 0.16000 0.32281 0.32282 0.32984
Eigenvalues --- 0.36007 0.430011000.000001000.000001000.00000
RFO step: Lambda=-1.93847597D-07 EMin= 7.95099993D-03
Linear search not attempted -- first point.
Iteration 1 RMS(Cart)= 0.00042136 RMS(Int)= 0.00000018
Iteration 2 RMS(Cart)= 0.00000012 RMS(Int)= 0.00000011
Variable Old X -DE/DX Delta X Delta X Delta X New X
(Linear) (Quad) (Total)
R1 2.09080 0.00003 0.00000 0.00010 0.00010 2.09090
R2 2.10332 -0.00002 0.00000 -0.00006 -0.00006 2.10326
R3 2.10330 -0.00002 0.00000 -0.00005 -0.00005 2.10325
R4 2.77371 0.00006 0.00000 0.00018 0.00018 2.77389
R5 1.94369 0.00001 0.00000 0.00003 0.00003 1.94372
A1 1.88435 0.00004 0.00000 0.00035 0.00035 1.88471
A2 1.88437 0.00004 0.00000 0.00035 0.00035 1.88471
A3 1.86356 0.00005 0.00000 0.00038 0.00038 1.86394
A4 1.88107 0.00005 0.00000 0.00013 0.00013 1.88121
A5 1.97338 -0.00008 0.00000 -0.00056 -0.00056 1.97282
A6 1.97341 -0.00008 0.00000 -0.00057 -0.00057 1.97283
A7 1.76805 -0.00002 0.00000 -0.00014 -0.00014 1.76791
D1 3.14106 0.00000 0.00000 0.00036 0.00036 3.14141
D2 -1.07239 0.00004 0.00000 0.00072 0.00072 -1.07167
D3 1.07128 -0.00003 0.00000 0.00001 0.00001 1.07129
Item Value Threshold Converged?
Maximum Force 0.000084 0.000450 YES
RMS Force 0.000045 0.000300 YES
Maximum Displacement 0.000864 0.001800 YES
RMS Displacement 0.000421 0.001200 YES
Predicted change in Energy=-9.690117D-08
Optimization completed.
-- Stationary point found.
----------------------------
! Optimized Parameters !
! (Angstroms and Degrees) !
-------------------------- --------------------------
! Name Definition Value Derivative Info. !
--------------------------------------------------------------------------------
! R1 R(1,2) 1.1064 -DE/DX = 0.0 !
! R2 R(1,3) 1.113 -DE/DX = 0.0 !
! R3 R(1,4) 1.113 -DE/DX = 0.0 !
! R4 R(1,5) 1.4678 -DE/DX = 0.0001 !
! R5 R(5,6) 1.0286 -DE/DX = 0.0 !
! A1 A(2,1,3) 107.9654 -DE/DX = 0.0 !
! A2 A(2,1,4) 107.9662 -DE/DX = 0.0 !
! A3 A(2,1,5) 106.7739 -DE/DX = 0.0 !
! A4 A(3,1,4) 107.7775 -DE/DX = 0.0 !
! A5 A(3,1,5) 113.0663 -DE/DX = -0.0001 !
! A6 A(4,1,5) 113.0679 -DE/DX = -0.0001 !
! A7 A(1,5,6) 101.3017 -DE/DX = 0.0 !
! D1 D(2,1,5,6) 179.9692 -DE/DX = 0.0 !
! D2 D(3,1,5,6) -61.4433 -DE/DX = 0.0 !
! D3 D(4,1,5,6) 61.3798 -DE/DX = 0.0 !
--------------------------------------------------------------------------------
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
Input orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.680681 -0.015524 -0.000002
2 1 0 1.102821 1.007184 -0.000577
3 1 0 1.066403 -0.545634 0.899463
4 1 0 1.066324 -0.546624 -0.898904
5 8 0 -0.779961 0.129117 0.000003
6 1 0 -1.079944 -0.854720 0.000008
---------------------------------------------------------------------
Distance matrix (angstroms):
1 2 3 4 5
1 C 0.000000
2 H 1.106406 0.000000
3 H 1.113030 1.795172 0.000000
4 H 1.113020 1.795172 1.798367 0.000000
5 O 1.467786 2.077467 2.161800 2.161811 0.000000
6 H 1.950397 2.868998 2.347628 2.347218 1.028555
6
6 H 0.000000
Stoichiometry CH4O
Framework group C1[X(CH4O)]
Deg. of freedom 12
Full point group C1 NOp 1
Largest Abelian subgroup C1 NOp 1
Largest concise Abelian subgroup C1 NOp 1
Standard orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.680681 -0.015524 -0.000002
2 1 0 1.102821 1.007184 -0.000577
3 1 0 1.066403 -0.545634 0.899463
4 1 0 1.066324 -0.546624 -0.898904
5 8 0 -0.779961 0.129117 0.000003
6 1 0 -1.079944 -0.854720 0.000008
---------------------------------------------------------------------
Rotational constants (GHZ): 120.4733728 23.4973903 22.5179446
1|1|UNPC-DESKTOP-NTK9DLK|FOpt|RB3LYP|STO-3G|C1H4O1|LEAHW|21-Mar-2019|0
||# opt freq b3lyp/sto-3g geom=connectivity||Title Card Required||0,1|
C,0.680681,-0.015524,-0.000002|H,1.102821,1.007184,-0.000577|H,1.06640
3,-0.545634,0.899463|H,1.066324,-0.546624,-0.898904|O,-0.779961,0.1291
17,0.000003|H,-1.079944,-0.85472,0.000008||Version=IA32W-G09RevA.02|St
ate=1-A|HF=-114.1790501|RMSD=3.915e-009|RMSF=5.376e-005|Dipole=0.25485
47,-0.4760589,-0.0000259|Quadrupole=-0.1689066,0.5093829,-0.3404763,1.
0739745,-0.0000479,-0.0000192|PG=C01 [X(C1H4O1)]||@
THE RARE EARTHS PERPLEX US IN OUR RESEARCHES,
BAFFLE US IN OUR SPECULATIONS, AND HAUNT US IN OUR
VERY DREAMS. THEY STRETCH LIKE AN UNKNOWN BEFORE US,
MOCKING, MYSTIFYING, AND MURMURING STRANGE REVELATIONS
AND POSSIBILITIES. -- SIR WILLIAM CROOKE, 1832-1919
Job cpu time: 0 days 0 hours 0 minutes 2.0 seconds.
File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1
Normal termination of Gaussian 09 at Thu Mar 21 12:57:31 2019.
Link1: Proceeding to internal job step number 2.
------------------------------------------------------------------
#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/STO-3G Freq
------------------------------------------------------------------
1/10=4,29=7,30=1,38=1,40=1/1,3;
2/12=2,40=1/2;
3/6=3,11=2,14=-4,16=1,25=1,30=1,70=2,71=2,74=-5,116=1/1,2,3;
4/5=101/1;
5/5=2,98=1/2;
8/6=4,10=90,11=11/1;
11/6=1,8=1,9=11,15=111,16=1/1,2,10;
10/6=1/2;
6/7=2,8=2,9=2,10=2,18=1,28=1/1;
7/8=1,10=1,25=1/1,2,3,16;
1/10=4,30=1/3;
99//99;
-------------------
Title Card Required
-------------------
Redundant internal coordinates taken from checkpoint file:
C:\Google Drive\Rob Paton CSU\Project GoodVibes Guilian\media test\MeOH.chk
Charge = 0 Multiplicity = 1
C,0,0.680681,-0.015524,-0.000002
H,0,1.102821,1.007184,-0.000577
H,0,1.066403,-0.545634,0.899463
H,0,1.066324,-0.546624,-0.898904
O,0,-0.779961,0.129117,0.000003
H,0,-1.079944,-0.85472,0.000008
Recover connectivity data from disk.
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
Berny optimization.
Initialization pass.
----------------------------
! Initial Parameters !
! (Angstroms and Degrees) !
-------------------------- --------------------------
! Name Definition Value Derivative Info. !
--------------------------------------------------------------------------------
! R1 R(1,2) 1.1064 calculate D2E/DX2 analytically !
! R2 R(1,3) 1.113 calculate D2E/DX2 analytically !
! R3 R(1,4) 1.113 calculate D2E/DX2 analytically !
! R4 R(1,5) 1.4678 calculate D2E/DX2 analytically !
! R5 R(5,6) 1.0286 calculate D2E/DX2 analytically !
! A1 A(2,1,3) 107.9654 calculate D2E/DX2 analytically !
! A2 A(2,1,4) 107.9662 calculate D2E/DX2 analytically !
! A3 A(2,1,5) 106.7739 calculate D2E/DX2 analytically !
! A4 A(3,1,4) 107.7775 calculate D2E/DX2 analytically !
! A5 A(3,1,5) 113.0663 calculate D2E/DX2 analytically !
! A6 A(4,1,5) 113.0679 calculate D2E/DX2 analytically !
! A7 A(1,5,6) 101.3017 calculate D2E/DX2 analytically !
! D1 D(2,1,5,6) 179.9692 calculate D2E/DX2 analytically !
! D2 D(3,1,5,6) -61.4433 calculate D2E/DX2 analytically !
! D3 D(4,1,5,6) 61.3798 calculate D2E/DX2 analytically !
--------------------------------------------------------------------------------
Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07
Number of steps in this run= 2 maximum allowed number of steps= 2.
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
Input orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.680681 -0.015524 -0.000002
2 1 0 1.102821 1.007184 -0.000577
3 1 0 1.066403 -0.545634 0.899463
4 1 0 1.066324 -0.546624 -0.898904
5 8 0 -0.779961 0.129117 0.000003
6 1 0 -1.079944 -0.854720 0.000008
---------------------------------------------------------------------
Distance matrix (angstroms):
1 2 3 4 5
1 C 0.000000
2 H 1.106406 0.000000
3 H 1.113030 1.795172 0.000000
4 H 1.113020 1.795172 1.798367 0.000000
5 O 1.467786 2.077467 2.161800 2.161811 0.000000
6 H 1.950397 2.868998 2.347628 2.347218 1.028555
6
6 H 0.000000
Stoichiometry CH4O
Framework group C1[X(CH4O)]
Deg. of freedom 12
Full point group C1 NOp 1
Largest Abelian subgroup C1 NOp 1
Largest concise Abelian subgroup C1 NOp 1
Standard orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.680681 -0.015524 -0.000002
2 1 0 1.102821 1.007184 -0.000577
3 1 0 1.066403 -0.545634 0.899463
4 1 0 1.066324 -0.546624 -0.898904
5 8 0 -0.779961 0.129117 0.000003
6 1 0 -1.079944 -0.854720 0.000008
---------------------------------------------------------------------
Rotational constants (GHZ): 120.4733728 23.4973903 22.5179446
Standard basis: STO-3G (5D, 7F)
There are 14 symmetry adapted basis functions of A symmetry.
Integral buffers will be 262144 words long.
Raffenetti 2 integral format.
Two-electron integral symmetry is turned on.
14 basis functions, 42 primitive gaussians, 14 cartesian basis functions
9 alpha electrons 9 beta electrons
nuclear repulsion energy 39.0975612907 Hartrees.
NAtoms= 6 NActive= 6 NUniq= 6 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F
One-electron integrals computed using PRISM.
NBasis= 14 RedAO= T NBF= 14
NBsUse= 14 1.00D-06 NBFU= 14
Initial guess read from the checkpoint file: C:\Google Drive\Rob Paton CSU\Proj
ect GoodVibes Guilian\media test\MeOH.chk
B after Tr= 0.000000 0.000000 0.000000
Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg.
Initial guess orbital symmetries:
Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A)
Virtual (A) (A) (A) (A) (A)
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.
Keep R1 ints in memory in canonical form, NReq=927997.
SCF Done: E(RB3LYP) = -114.179050125 A.U. after 1 cycles
Convg = 0.3265D-09 -V/T = 2.0151
Range of M.O.s used for correlation: 1 14
NBasis= 14 NAE= 9 NBE= 9 NFC= 0 NFV= 0
NROrb= 14 NOA= 9 NOB= 9 NVA= 5 NVB= 5
Symmetrizing basis deriv contribution to polar:
IMax=3 JMax=2 DiffMx= 0.00D+00
G2DrvN: will do 7 centers at a time, making 1 passes doing MaxLOS=1.
Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00.
FoFDir/FoFCou used for L=0 through L=1.
End of G2Drv Frequency-dependent properties file 721 does not exist.
End of G2Drv Frequency-dependent properties file 722 does not exist.
IDoAtm=111111
Differentiating once with respect to electric field.
with respect to dipole field.
Differentiating once with respect to nuclear coordinates.
Keep R1 ints in memory in canonical form, NReq=806676.
There are 21 degrees of freedom in the 1st order CPHF. IDoFFX=5.
18 vectors produced by pass 0 Test12= 2.14D-16 4.76D-09 XBig12= 5.27D+00 1.25D+00.
AX will form 18 AO Fock derivatives at one time.
18 vectors produced by pass 1 Test12= 2.14D-16 4.76D-09 XBig12= 1.27D-01 1.72D-01.
9 vectors produced by pass 2 Test12= 2.14D-16 4.76D-09 XBig12= 1.35D-05 1.63D-03.
Inverted reduced A of dimension 45 with in-core refinement.
Isotropic polarizability for W= 0.000000 8.48 Bohr**3.
End of Minotr Frequency-dependent properties file 721 does not exist.
End of Minotr Frequency-dependent properties file 722 does not exist.
**********************************************************************
Population analysis using the SCF density.
**********************************************************************
Orbital symmetries:
Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A)
Virtual (A) (A) (A) (A) (A)
The electronic state is 1-A.
Alpha occ. eigenvalues -- -18.87393 -10.04292 -0.93227 -0.63125 -0.42547
Alpha occ. eigenvalues -- -0.38619 -0.35051 -0.23896 -0.14296
Alpha virt. eigenvalues -- 0.29402 0.36055 0.43334 0.44207 0.45883
Condensed to atoms (all electrons):
1 2 3 4 5 6
1 C 4.810988 0.373775 0.366922 0.366929 0.251455 -0.034249
2 H 0.373775 0.603478 -0.021778 -0.021774 -0.017624 0.003579
3 H 0.366922 -0.021778 0.633544 -0.026514 -0.013445 -0.003655
4 H 0.366929 -0.021774 -0.026514 0.633533 -0.013439 -0.003665
5 O 0.251455 -0.017624 -0.013445 -0.013439 7.799571 0.232007
6 H -0.034249 0.003579 -0.003655 -0.003665 0.232007 0.641838
Mulliken atomic charges:
1
1 C -0.135819
2 H 0.080344
3 H 0.064926
4 H 0.064929
5 O -0.238525
6 H 0.164145
Sum of Mulliken atomic charges = 0.00000
Mulliken charges with hydrogens summed into heavy atoms:
1
1 C 0.074380
5 O -0.074380
Sum of Mulliken charges with hydrogens summed into heavy atoms = 0.00000
APT atomic charges:
1
1 C 0.214497
2 H 0.013258
3 H -0.041391
4 H -0.041370
5 O -0.204227
6 H 0.059233
Sum of APT charges= 0.00000
APT Atomic charges with hydrogens summed into heavy atoms:
1
1 C 0.144994
2 H 0.000000
3 H 0.000000
4 H 0.000000
5 O -0.144994
6 H 0.000000
Sum of APT charges= 0.00000
Electronic spatial extent (au): <R**2>= 85.0396
Charge= 0.0000 electrons
Dipole moment (field-independent basis, Debye):
X= 0.6478 Y= -1.2100 Z= -0.0001 Tot= 1.3725
Quadrupole moment (field-independent basis, Debye-Ang):
XX= -12.1019 YY= -11.1895 ZZ= -12.3326
XY= 1.4445 XZ= -0.0001 YZ= 0.0000
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX= -0.2272 YY= 0.6851 ZZ= -0.4580
XY= 1.4445 XZ= -0.0001 YZ= 0.0000
Octapole moment (field-independent basis, Debye-Ang**2):
XXX= -4.9602 YYY= 0.2504 ZZZ= 0.0007 XYY= -1.8856
XXY= -1.1467 XXZ= 0.0000 XZZ= -0.9930 YZZ= -0.3737
YYZ= -0.0008 XYZ= -0.0001
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= -58.1630 YYYY= -17.6281 ZZZZ= -15.5073 XXXY= 1.3360
XXXZ= 0.0000 YYYX= 1.3017 YYYZ= 0.0000 ZZZX= 0.0010
ZZZY= 0.0000 XXYY= -11.4967 XXZZ= -12.1859 YYZZ= -5.6350
XXYZ= -0.0001 YYXZ= -0.0011 ZZXY= -0.6270
N-N= 3.909756129072D+01 E-N=-3.459779463544D+02 KE= 1.124826257718D+02
Exact polarizability: 10.423 1.658 9.091 0.000 0.000 5.932
Approx polarizability: 13.503 0.756 12.789 0.000 0.000 7.207
Calling FoFJK, ICntrl= 100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
Full mass-weighted force constant matrix:
Low frequencies --- -19.7722 -17.8125 -0.0002 0.0003 0.0005 3.9186
Low frequencies --- 400.9523 1081.3967 1152.1924
Diagonal vibrational polarizability:
0.6569917 0.1172576 10.3669792
Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
activities (A**4/AMU), depolarization ratios for plane and unpolarized
incident light, reduced masses (AMU), force constants (mDyne/A),
and normal coordinates:
1 2 3
A A A
Frequencies -- 400.9522 1081.3967 1152.1924
Red. masses -- 1.0636 1.6810 2.1141
Frc consts -- 0.1007 1.1582 1.6536
IR Inten -- 61.3836 20.8961 0.1891
Atom AN X Y Z X Y Z X Y Z
1 6 0.00 0.00 0.00 0.15 0.08 0.00 0.22 -0.10 0.00
2 1 0.00 0.00 -0.30 0.74 -0.18 0.00 -0.30 0.12 0.00
3 1 0.05 0.24 0.12 -0.20 -0.21 -0.03 0.50 0.18 0.03
4 1 -0.05 -0.24 0.12 -0.20 -0.21 0.03 0.50 0.18 -0.03
5 8 0.00 0.00 0.06 -0.16 -0.01 0.00 -0.18 0.04 0.00
6 1 0.00 0.00 -0.87 0.40 -0.20 0.00 -0.48 0.10 0.00
4 5 6
A A A
Frequencies -- 1178.3370 1582.4441 1604.2806
Red. masses -- 1.2485 1.2134 1.2065
Frc consts -- 1.0213 1.7903 1.8295
IR Inten -- 0.8686 10.2097 1.8160
Atom AN X Y Z X Y Z X Y Z
1 6 0.00 0.00 0.13 0.00 0.10 0.00 0.13 0.02 0.00
2 1 0.00 0.00 -0.22 0.41 -0.06 0.00 -0.51 0.28 0.00
3 1 0.65 -0.08 -0.19 -0.01 -0.10 -0.11 -0.50 -0.20 0.13
4 1 -0.65 0.08 -0.19 -0.01 -0.10 0.11 -0.50 -0.20 -0.13
5 8 0.00 0.00 -0.06 0.03 -0.07 0.00 0.01 -0.01 0.00
6 1 0.00 0.00 -0.02 -0.85 0.21 0.00 -0.18 0.04 0.00
7 8 9
A A A
Frequencies -- 1662.1115 1683.9415 3218.4824
Red. masses -- 1.0567 1.0430 1.0358
Frc consts -- 1.7199 1.7426 6.3216
IR Inten -- 2.9674 2.9857 16.2403
Atom AN X Y Z X Y Z X Y Z
1 6 0.00 0.00 -0.07 0.02 -0.05 0.00 -0.05 0.02 0.00
2 1 0.00 0.00 0.75 0.27 -0.14 0.00 0.15 0.37 0.00
3 1 0.27 0.38 0.06 -0.23 0.48 0.40 0.22 -0.30 0.53
4 1 -0.27 -0.38 0.06 -0.23 0.48 -0.40 0.22 -0.30 -0.53
5 8 0.00 0.00 -0.01 0.01 -0.02 0.00 0.00 0.00 0.00
6 1 0.00 0.00 0.00 -0.11 0.02 0.00 0.01 0.01 0.00
10 11 12
A A A
Frequencies -- 3353.5075 3426.2577 3688.2174
Red. masses -- 1.1067 1.1047 1.0681
Frc consts -- 7.3330 7.6406 8.5603
IR Inten -- 19.1421 2.4577 42.8010
Atom AN X Y Z X Y Z X Y Z
1 6 0.00 0.00 0.09 -0.01 -0.09 0.00 0.00 0.01 0.00
2 1 0.00 0.00 0.01 0.34 0.85 0.00 -0.01 -0.03 0.00
3 1 -0.23 0.34 -0.57 -0.09 0.12 -0.23 0.00 -0.01 0.01
4 1 0.23 -0.35 -0.57 -0.09 0.12 0.23 0.00 -0.01 -0.01
5 8 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.06 0.00
6 1 0.00 0.00 -0.01 0.00 -0.04 0.00 -0.30 -0.95 0.00
-------------------
- Thermochemistry -
-------------------
Temperature 298.150 Kelvin. Pressure 1.00000 Atm.
Atom 1 has atomic number 6 and mass 12.00000
Atom 2 has atomic number 1 and mass 1.00783
Atom 3 has atomic number 1 and mass 1.00783
Atom 4 has atomic number 1 and mass 1.00783
Atom 5 has atomic number 8 and mass 15.99491
Atom 6 has atomic number 1 and mass 1.00783
Molecular mass: 32.02621 amu.
Principal axes and moments of inertia in atomic units:
1 2 3
Eigenvalues -- 14.98042 76.80603 80.14680
X 0.99893 0.04624 0.00000
Y -0.04624 0.99893 0.00000
Z 0.00000 0.00000 1.00000
This molecule is an asymmetric top.
Rotational symmetry number 1.
Rotational temperatures (Kelvin) 5.78180 1.12770 1.08069
Rotational constants (GHZ): 120.47337 23.49739 22.51794
Zero-point vibrational energy 143744.0 (Joules/Mol)
34.35564 (Kcal/Mol)
Warning -- explicit consideration of 1 degrees of freedom as
vibrations may cause significant error
Vibrational temperatures: 576.88 1555.89 1657.75 1695.36 2276.78
(Kelvin) 2308.20 2391.40 2422.81 4630.67 4824.94
4929.61 5306.52
Zero-point correction= 0.054749 (Hartree/Particle)
Thermal correction to Energy= 0.057967
Thermal correction to Enthalpy= 0.058911
Thermal correction to Gibbs Free Energy= 0.032002
Sum of electronic and zero-point Energies= -114.124301
Sum of electronic and thermal Energies= -114.121083
Sum of electronic and thermal Enthalpies= -114.120139
Sum of electronic and thermal Free Energies= -114.147048
E (Thermal) CV S
KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin
Total 36.375 8.372 56.635
Electronic 0.000 0.000 0.000
Translational 0.889 2.981 36.324
Rotational 0.889 2.981 19.162
Vibrational 34.597 2.411 1.149
Vibration 1 0.767 1.468 0.959
Q Log10(Q) Ln(Q)
Total Bot 0.190573D-14 -14.719938 -33.893909
Total V=0 0.290330D+11 10.462892 24.091700
Vib (Bot) 0.778215D-25 -25.108900 -57.815379
Vib (Bot) 1 0.444223D+00 -0.352399 -0.811429
Vib (V=0) 0.118558D+01 0.073930 0.170229
Vib (V=0) 1 0.116883D+01 0.067751 0.156003
Electronic 0.100000D+01 0.000000 0.000000
Translational 0.712383D+07 6.852714 15.778956
Rotational 0.343755D+04 3.536249 8.142514
***** Axes restored to original set *****
-------------------------------------------------------------------
Center Atomic Forces (Hartrees/Bohr)
Number Number X Y Z
-------------------------------------------------------------------
1 6 0.000185333 0.000034885 0.000004693
2 1 0.000012736 0.000029719 0.000001034
3 1 -0.000065097 -0.000012705 -0.000002999
4 1 -0.000064512 -0.000011286 -0.000001343
5 8 -0.000075721 -0.000023715 -0.000005927
6 1 0.000007260 -0.000016898 0.000004543
-------------------------------------------------------------------
Cartesian Forces: Max 0.000185333 RMS 0.000053760
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
Berny optimization.
Internal Forces: Max 0.000083721 RMS 0.000044872
Search for a local minimum.
Step number 1 out of a maximum of 2
All quantities printed in internal units (Hartrees-Bohrs-Radians)
Second derivative matrix not updated -- analytic derivatives used.
The second derivative matrix:
R1 R2 R3 R4 R5
R1 0.40698
R2 -0.00324 0.38605
R3 -0.00325 -0.00213 0.38607
R4 0.00981 0.01712 0.01711 0.38952
R5 -0.00170 0.00077 0.00078 -0.02162 0.48782
A1 0.00522 0.00702 -0.00534 -0.02468 -0.00021
A2 0.00522 -0.00534 0.00702 -0.02468 -0.00021
A3 0.00421 -0.00424 -0.00424 0.01837 0.00698
A4 -0.00491 0.00753 0.00753 -0.02814 0.00073
A5 -0.00433 -0.00090 -0.00399 0.02747 -0.00351
A6 -0.00433 -0.00399 -0.00090 0.02746 -0.00352
A7 0.00276 -0.00315 -0.00316 0.06577 0.01421
D1 0.00000 -0.00444 0.00443 0.00001 0.00000
D2 0.00667 0.00092 -0.00718 -0.00262 0.00225
D3 -0.00667 0.00718 -0.00092 0.00263 -0.00226
A1 A2 A3 A4 A5
A1 0.08732
A2 0.00221 0.08732
A3 -0.04515 -0.04515 0.14851
A4 0.00310 0.00310 -0.00061 0.09087
A5 -0.03949 -0.00150 -0.02984 -0.04735 0.14406
A6 -0.00150 -0.03949 -0.02984 -0.04734 -0.03163
A7 -0.00678 -0.00678 0.03397 0.00306 -0.01161
D1 -0.02771 0.02770 0.00001 0.00000 -0.01909
D2 0.02765 0.00024 0.02373 -0.02382 -0.00414
D3 -0.00024 -0.02765 -0.02372 0.02382 0.02033
A6 A7 D1 D2 D3
A6 0.14405
A7 -0.01162 0.28754
D1 0.01908 0.00000 0.03228
D2 -0.02033 0.00703 -0.01277 0.03425
D3 0.00414 -0.00702 -0.01277 -0.01677 0.03425
Eigenvalues --- 0.00531 0.11187 0.11331 0.15830 0.18257
Eigenvalues --- 0.19097 0.27435 0.37967 0.38915 0.40814
Eigenvalues --- 0.43958 0.493651000.000001000.000001000.00000
Angle between quadratic step and forces= 41.68 degrees.
Linear search not attempted -- first point.
Iteration 1 RMS(Cart)= 0.00038895 RMS(Int)= 0.00000016
Iteration 2 RMS(Cart)= 0.00000011 RMS(Int)= 0.00000008
Variable Old X -DE/DX Delta X Delta X Delta X New X
(Linear) (Quad) (Total)
R1 2.09080 0.00003 0.00000 0.00004 0.00004 2.09085
R2 2.10332 -0.00002 0.00000 -0.00008 -0.00008 2.10324
R3 2.10330 -0.00002 0.00000 -0.00006 -0.00006 2.10324
R4 2.77371 0.00006 0.00000 0.00033 0.00033 2.77405
R5 1.94369 0.00001 0.00000 0.00004 0.00004 1.94372
A1 1.88435 0.00004 0.00000 0.00034 0.00034 1.88469
A2 1.88437 0.00004 0.00000 0.00032 0.00032 1.88469
A3 1.86356 0.00005 0.00000 0.00023 0.00023 1.86378
A4 1.88107 0.00005 0.00000 0.00022 0.00022 1.88129
A5 1.97338 -0.00008 0.00000 -0.00050 -0.00050 1.97288
A6 1.97341 -0.00008 0.00000 -0.00053 -0.00053 1.97288
A7 1.76805 -0.00002 0.00000 -0.00022 -0.00022 1.76782
D1 3.14106 0.00000 0.00000 0.00054 0.00054 3.14159
D2 -1.07239 0.00004 0.00000 0.00081 0.00081 -1.07158
D3 1.07128 -0.00003 0.00000 0.00030 0.00030 1.07158
Item Value Threshold Converged?
Maximum Force 0.000084 0.000450 YES
RMS Force 0.000045 0.000300 YES
Maximum Displacement 0.000811 0.001800 YES
RMS Displacement 0.000389 0.001200 YES
Predicted change in Energy=-9.282656D-08
Optimization completed.
-- Stationary point found.
----------------------------
! Optimized Parameters !
! (Angstroms and Degrees) !
-------------------------- --------------------------
! Name Definition Value Derivative Info. !
--------------------------------------------------------------------------------
! R1 R(1,2) 1.1064 -DE/DX = 0.0 !
! R2 R(1,3) 1.113 -DE/DX = 0.0 !
! R3 R(1,4) 1.113 -DE/DX = 0.0 !
! R4 R(1,5) 1.4678 -DE/DX = 0.0001 !
! R5 R(5,6) 1.0286 -DE/DX = 0.0 !
! A1 A(2,1,3) 107.9654 -DE/DX = 0.0 !
! A2 A(2,1,4) 107.9662 -DE/DX = 0.0 !
! A3 A(2,1,5) 106.7739 -DE/DX = 0.0 !
! A4 A(3,1,4) 107.7775 -DE/DX = 0.0 !
! A5 A(3,1,5) 113.0663 -DE/DX = -0.0001 !
! A6 A(4,1,5) 113.0679 -DE/DX = -0.0001 !
! A7 A(1,5,6) 101.3017 -DE/DX = 0.0 !
! D1 D(2,1,5,6) 179.9692 -DE/DX = 0.0 !
! D2 D(3,1,5,6) -61.4433 -DE/DX = 0.0 !
! D3 D(4,1,5,6) 61.3798 -DE/DX = 0.0 !
--------------------------------------------------------------------------------
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
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THE RARE EARTHS PERPLEX US IN OUR RESEARCHES,
BAFFLE US IN OUR SPECULATIONS, AND HAUNT US IN OUR
VERY DREAMS. THEY STRETCH LIKE AN UNKNOWN BEFORE US,
MOCKING, MYSTIFYING, AND MURMURING STRANGE REVELATIONS
AND POSSIBILITIES. -- SIR WILLIAM CROOKE, 1832-1919
Job cpu time: 0 days 0 hours 0 minutes 5.0 seconds.
File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1
Normal termination of Gaussian 09 at Thu Mar 21 12:57:36 2019.
|
