Advbv

vavaL owj foj fgvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG
IVW GIVgwrgwrgwrgsfUBHVIRAFBAHR
[Foto0266advadvavadvaddv.jpg]acscb kshguy ysdtvginhohovtdxrs6rtuini
uyvftfvuvgWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrgsfbvvFVJVGUHFQ
IBHFLUBdxrs6rtuini
uyvftfvuvgvuihbhbyguyv266advadvavadvaddv.jpg]acscb kshguy ysdtvginhohovtdxrs6rtu
ini
uyvftfvuvgvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFNHIOA UBHVIRAFBAHR
[Foto0266advauyvuyvftfvuvgvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFNHIOvavadvaddv.jpg]
acscb kshguy ysdtvginhohovtdxrs6rtuini
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFNHIOA VJVvavadvaddv.jpg]acscb kshgu
y ysdtvginhohovtdxrs6rtuini
IBHFLUBdxrs6rtuini
uyvftfvuvgvuihbhbyguyv266advadvavadvaddv.jpg]acvavadvaddv.jpg]acscb kshguy ysdtv
ginhohovtdxrs6rtuini
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIV
gwrgwrgwrgsfbvvFVJVGUHFQIBHFLUBHVIRAFBAHR
uyvftfvuvgWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwr kshguy ysdtvgi
nhohovtdxrs6rtuini
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgvuihbhbyguyvafbiywhnifuyvftfvuvgvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFNHI
OA UBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIascb kshguy ys
dtvginhohovtdxrs6rtuini
uyvftfvuvgWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVWvavadvaddv.jpg]acscb kshguy
ysdtvginhohovtdxrs6rtuini
IBHFLUBdxrs6rtuini
ini
nhohovtdxrs6rtuini
IBHFLUBdxrs6rtuini
ini
OA UBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIa GIVgwrgwrgwr
kshguy ysdtvginhohovtdxrs6rtuini
IBHFLUBdxrs6rtuini
ini
OA UBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIa
nhohovtdxrs6rtuini
IBHFLUBdxrs6rtuini
ini
OA UBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIaA UBHVIRAFBAH
R
[Foto0266advadvavadvaddv.jpg]acscb kshguy yuyvftfvuvgvuihbhbyguyvafbiywhnif3hWQC
HJFNVLKFNHIOA UBHVIRAFBAHR
[Foto0266advadvavadvaddv.jpg]acscbuyvftfvuvgvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFN
HIOA UBHVIRAFBAHR
[Foto0266advadvavadvaddv.jpg]acscb kshguy ysdtvginhohovtdxrs6rtuinivavadvaddv.jp
g]acscb kshguy ysdtvginhohovtdxrs6rtuini
IBHFLUBdxrs6rtuini
ini
nhohovtdxrs6rtuini
IBHFLUBdxrs6rtuini
ini
OA UBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIa
IBHFLUBdxrs6rtuini
ini
nhohovtdxrs6rtuini
IBHFLUBdxrs6rtuini
ini
OA UBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwr3hWQCHJFNVLKFNH
IOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrgsfbvvFVJVGUHFQIBHFLUBHVIRAFBAHR
uyvftfvuvgWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrsdtvginhohovtdx
rs6rtuini
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrftfvuvgvuihbhby
guyvafbiywhnif3hWQCHJFNVLKFNHIOA UBHVIRAFBAHR
[Foto0266advadvavadvaddv.jpg]acscb kshguy yuyvftfvuvgvuihbhbyguyvafbiywhnif3hWQC
HJFNVLKFNHIOA UBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrsdtvginhohovtdx
rs6rtuini
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrdvavadvuyvftfvu

vgvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFNHIOA UBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwraddv.jpg]acscb
kshguy ysdtvginhohovtdxrs6rtuini
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgvuihbhbyguyvauyvftfvuvgvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFNHIOA UBHVIR
AFBAHR
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrfbiywhnif3hWQCH
JFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrgsfbvvFVJVGUHFQIBHFLUBHVIRAFB
AHR
IBHFLUBafbiywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCgvuihbhbyguyvafbiywhnif3hWQCHJFN
VLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrgsfbvv
FVJVGUHUBHVIRAFBAHR
[Foto0266advadvauyvftfvuvgvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFNHIOA UBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrvadvaddv.jpg]ac
scb kshguy ysdtvginhohovtdxrs6rtuini
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgvuihbhbyguyvafbiUBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
VLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW UBHVIRAFBAHR

IBHFLUBdxrs6rtuini
ini
VLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW UBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
VLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW ywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvH
AG IVW GIVgwrgwrgwrgsfbvvFVJVGUHFQIBHFLUBHVIRAFBAHR
VLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW FQIBHFLUBHVIRAFBAHR
[Foto0266advadvavUBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
VLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW aUBHVIRAFBAHR
[Foto0266UBHVIRAFBAHR
[Foto0266advadvavadvaddv.jpg]UBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
VLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW acscb kshguy ysdtvginhohovtdxrs6rtuini
IBHFLUBdxrs6rtuini
ini

VLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW advadvavadvaddv.jpg]acscb kshguy ysdtvginhoh
ovtdxrs6rtuini
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgvuihbhbyguyvafbiUBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
VLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW ywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvH
VLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW dvaddv.jpg]acscb kshguy ysdtvginhohovtdxrs6r
tuini
uyvftfvuvgWQCHJFNVLKFUBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
VLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW NHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwr
gsfbvvFVJVGUHFQIBHFLUBafbiywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCgvuihbhbyguyvafbi
ywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW bvvFVJVGUHFQIBHFLUBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
VLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrgsfbvvFVJVGUHFQIBHFLUBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
uyvftfvuvgWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrgsfbvvgvuihbhby
guyvafbiywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWvuihbhbyguyv266advadvavadvaddv.jpg]a
cscb kshguy ysdtvginhohovtdxrs6rtuini
[Foto0266advadvagvuihbhbyguyv66advadvavadvaddv.jpg]acscb kshguy ysdtvginhohovtdx
rs6rtuini
uyvftfvuvgWQCHJvuihbhbyguyv266advadvavadvaddv.jpg]acscb kshguy ysdtvginhohovtdxr
s6rtuini
[Foto0266advadvagvuihbhbyguyvafbiywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG
IVW GIVgwrgwrgwrgsfbvvFVJVGUHFQIBHFLUBHVIRAFBAHR
uyvftfvuvgWQCHJFvuihbhbyguyv266advadvavadvaddv.jpg]acscb kshguy ysdtvginhohovtdx
rs6rtuini
IVW GIVgwrgwrgwrgsfbvvFVJVGUHFQIafbiywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvH
uyvftfvuvgWQCHJvuihbhbyguyv266advadvavadvaddv.jpg]acscb kshguy ysdtvginhohovtdxr
s6rtuini
uyvftfvuvgWQCHJFvuihbhbyguyv266advadvavadvaddv.jpg]acscb kshguy ysdtvginhohovtdx
rs6rtuini
uyvftfvuvgWQCHJFNVLKFNNVLKFNFNVLKFNCBVIadvHAG IVW GIVgwrgwrgwrgsfbvvFVJVGUHFQIBH
FLUBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
IBHFLUBdxrs6rtuini
ini
IBHFLUBafbiywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrgsfbvv
FVJVGUHFQIBHFLUBHVIRAFBAHR
IBHFLUBvcadvsdvav
W WH
K CVHCVVGJWQCHJFNVLKFNHWQCHJFNVLKFNHIOA Vvadvadd
v.jpg]acscb kshguy ysdtvginhohovtdxrs6rtuini

IBHFLUBvcadvsdvav
W WH
K CVHCVVGJWQCHJFNVLKFNHWQCHJFNVLKFNHIOA VFVJVGUH
FQIBHFLUBafbiywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIgvuihbhbyguyva
fbiywhnif3hWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrgsfbvvFVJVGUHF
QIBHFLUBHVIRAFBAHR
IBHFLUBdxrs6rtuini
ini
IBHFLUBvcadvsdvav
W WH
K CVHCVVGJWQCHJFNVLKFNHWQCHJFNVLKFNHIOA VVgwrgwr
gwrgsfbvvFVJVGUHFQIBHFLUBHVIRAFBAHR
IBHFLUBvcadvsdvav
W WH
K CVHCVVGJWQCHJFNVLKFNHWQCHJFNVLKFNHIOA VBVIadvH
IBHFLUBvcadvsdvav
W WH
K CVHCVVGJWQCHJFNVLKFNHWQCHJFNVLKFNHIOA Vjwncjsc
b ic
jwbivc i vci
CMKho NDAJBaimp_2.51.330e(3)CNad266advadvavadvaddv.jpg]acscb kshguy ysdtvginhoho
vt266advadvavadvaddv.jpg]acscb kshguy ysdtvginhohovtdxrs6rtuini
IBHFLUBdxrs6rtuini
ini
IBHFLUBvcadvsdvav
W WH
K CVHCVVGJWQCHJFNVLKFNHWQCHJFNVLKFNHIOA VJVISBFJ
BUWCBVIadvHAG IVW GIVgwrgwrgwrgsfbvvFVJVGUHFQIBHFLUBHVIRAFBAHR
IBHFLUBHVIRAFBAHR
uyvftfvuvgvuihbhbyguyvafbiywhnif3h3omfvhgv8gh4uiguhnigbighheijghuignv4yghinrmrgj
iutnhvvibughegmehgdv
- RAM 128 GBsbsgwrgbughegmehgdvvuihbhbyguyvafbiywhnif3h3omfvhgv8gh4uiguhnigbighh
eijghuignv4yghinrmrgjiutnhvvibughegmehgdv
- RAM 128 GBsbsgwrgbughegmehgdv3omfvhgv8gh4uiguhnigbighheijghuignv4yghinrmrgjiut
nhvvibughegmehgdv
- RAM 128 GBsbsgwrgbughegmehgdvIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrgsfbvvF
VJVGUHFQIBHFLUBHVIRAFBAHR
uyvftfvuvgvuihbhbVVGJWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrgsfb
vvFVJVGUHFQIBHFLUBHVIRAFBAHR
[Foto0266advadvavadvaWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrgsfb
vvFVJVGUHFQIBHFLUBHVIRAFBAHR
- RAM 128 GBsbsgwrgbughegmehgdvddv.jpg]acscb kshguy ysdtvginhohovtdxrs6rtuini
- RAM 128 GBsbsgwrgbughegmehgdv
rotate=rotate(3)advadvadv
Spek minimum untuk UTSjsabbidgqidqjdkqcgvidgbkJCDBHVHFGKAGCA JFCJQF VCJACJKagfci
hvaore i9 18 GHz
- RAM 128 GBsbsgwrg.exe: EC3C91CC560EEB4BAB112FDD69099C48
[Foto0265.jpg]
rotate=rotate(3)CNadvcadvsdvav W WH
K CVHCVVGJWQCHJFNVLKFNHIOA VJVISBFJBUWCB
VIadvHAG IVW GIVgwrgwrgwrgsfbvvFVJVGUHFQIBHFLUBHVIRAFBAHR
rotate=rotate(3)advadvadv
Spek minimum untuk UTSjsabbidgqidqjdkqcgvidgbkJCDBHVHFGKAGCA JFCJQF VCJACJKagfci
hvaore i9 18 GHz
- RAM 128 GBsbsgwrg
- Nvidia TITAN 3 biji (SLI)
- Seagate / WDC 8 TB
- SSD 256 GB
- Keyboard virtual with A2DP
- Power Supply 1000w dengadvan logo SNIdv
- Mouse wireless tanpa kabel
- Motherboard Military Class (Kelas 6 SD ato 9 SMP juga boleh)
Entering Link 1 = C:\G03W\l1.exe PID=
6636.
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2004, Gaussian, Inc.

All Rights Reserved.
This is the Gaussian(R) 03 program. It is based on the
the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
the Gaussian 92(TM) system (copyright 1992, 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 03, Revision C.01,
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven,
K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi,
V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega,
G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota,
R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao,
H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross,
C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev,
A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala,
K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg,
V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain,
O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari,
J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford,
J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz,
I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham,
C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill,
B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople,
Gaussian, Inc., Wallingford CT, 2004.
******************************************
Gaussian 03: IA32W-G03RevC.01 3-Apr-2004
11-May-2013
******************************************
%chk=D:\acetat.chk
Default route: MaxDisk=2000MB
-----------------------------
# mp2/6-31g geom=connectivity
----------------------------1/38=1,57=2/1;
2/17=6,18=5,40=1/2;
3/5=1,6=6,11=9,16=1,25=1,30=1/1,2,3;
4//1;
5/5=2,38=5/2;
8/10=2,27=262144000/1;
9/16=-3,27=262144000/6;
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 = 1
C
-0.06184 -1.43163 0.
C
-0.06184 0.08838 0.
O
-1.11784 0.69838 0.
O
1.11616 0.76838 0.
H
0.96616 -1.79563 0.
H
-0.57584 -1.79563 0.89
H
-0.57584 -1.79563 -0.89
H
0.94116 1.71238 0.
Input orientation:
--------------------------------------------------------------------Center
Atomic
Atomic
Coordinates (Angstroms)
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
-0.061844 -1.431625
0.000000
2
6
0
-0.061844
0.088375
0.000000
3
8
0
-1.117844
0.698375
0.000000
4
8
0
1.116156
0.768375
0.000000
5
1
0
0.966156 -1.795625
0.000000
6
1
0
-0.575844 -1.795625
0.890000
7
1
0
-0.575844 -1.795625 -0.890000
8
1
0
0.941156
1.712375
0.000000
--------------------------------------------------------------------Distance matrix (angstroms):
1
2
3
4
5
1 C
0.000000
2 C
1.520000 0.000000
3 O
2.377401 1.219523 0.000000
4 O
2.495533 1.360178 2.235096 0.000000
5 H
1.090541 2.146215 3.250091 2.568384 0.000000
6 H
1.090317 2.146102 2.702943 3.198290 1.780411
7 H
1.090317 2.146102 2.702943 3.198290 1.780411
8 H
3.300113 1.908765 2.295142 0.960084 3.508089
6
7
8
6 H
0.000000
7 H
1.780000 0.000000
8 H
3.924214 3.924214 0.000000
Stoichiometry
C2H4O2
Framework group CS[SG(C2H2O2),X(H2)]
Deg. of freedom
12
Full point group
CS
NOp 2
Largest Abelian subgroup
CS
NOp 2
Largest concise Abelian subgroup CS
NOp 2
Standard orientation:
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
-0.871485 -1.137492
0.000000
2
6
0
0.000000
0.107865
0.000000
3
8
0
-0.515454
1.213099
0.000000
4
8
0
1.355026 -0.010403
0.000000
5
1
0
-0.237929 -2.025121
0.000000
6
1
0
-1.501310 -1.141022
0.890000
7
1
0
-1.501310 -1.141022 -0.890000
8
1
0
1.752885
0.863364
0.000000
--------------------------------------------------------------------Rotational constants (GHZ):
11.8234540
8.8101768
5.2147338
Standard basis: 6-31G (6D, 7F)
There are
34 symmetry adapted basis functions of A' symmetry.
There are
10 symmetry adapted basis functions of A" symmetry.
Integral buffers will be
262144 words long.
Raffenetti 1 integral format.
Two-electron integral symmetry is turned on.
44 basis functions, 104 primitive gaussians,
44 cartesian basis functio
ns
16 alpha electrons
16 beta electrons
nuclear repulsion energy
120.1470091740 Hartrees.
NAtoms=
8 NActive=
8 NUniq=
7 SFac= 1.40D+00 NAtFMM= 60 Big=F
One-electron integrals computed using PRISM.
NBasis=
44 RedAO= T NBF=
34
10
NBsUse=
44 1.00D-06 NBFU=
34
10
Harris functional with IExCor= 205 diagonalized for initial guess.
ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=1 IRadAn=
1 Acc
Des= 1.00D-06
HarFok: IExCor= 205 AccDes= 1.00D-06 IRadAn=
1 IDoV=1
ScaDFX= 1.000000 1.000000 1.000000 1.000000
Initial guess orbital symmetries:
Occupied (A') (A') (A') (A') (A') (A') (A') (A') (A') (A')
(A") (A') (A") (A') (A") (A')
Virtual (A") (A') (A') (A') (A") (A') (A') (A') (A') (A")
(A') (A") (A') (A') (A') (A') (A") (A') (A") (A')
(A') (A') (A") (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 integrals in memory in canonical form, NReq=
959022.
SCF Done: E(RHF) = -227.695674791
A.U. after 13 cycles
Convg =
0.2901D-08
-V/T = 2.0003
S**2 = 0.0000
ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=1 IRadAn=
1 Acc
Des= 1.00D-06
HarFok: IExCor= 205 AccDes= 1.00D-06 IRadAn=
1 IDoV=1
ScaDFX= 1.000000 1.000000 1.000000 1.000000
Range of M.O.s used for correlation:
5
44
NBasis=
44 NAE=
16 NBE=
16 NFC=
4 NFV=
0
NROrb=
40 NOA=
12 NOB=
12 NVA=
28 NVB=
28
Fully in-core method, ICMem=
5842330.
JobTyp=1 Pass 1 fully in-core, NPsUse= 1.
Spin components of T(2) and E(2):
alpha-alpha T2 =
0.1868553967D-01 E2=
-0.5346551821D-01
alpha-beta T2 =
0.1117499413D+00 E2=
-0.3201906597D+00
beta-beta T2 =
0.1868553967D-01 E2=
-0.5346551821D-01
ANorm=
0.1071970625D+01
E2 =
-0.4271216961D+00 EUMP2 =
-0.22812279648700D+03
**********************************************************************
Population analysis using the SCF density.
**********************************************************************
Orbital symmetries:
Occupied (A') (A') (A') (A') (A') (A') (A') (A') (A') (A')
(A") (A') (A") (A') (A") (A')
Virtual (A") (A') (A') (A') (A") (A') (A') (A') (A") (A')
(A') (A") (A') (A') (A') (A') (A") (A') (A') (A")
(A') (A') (A") (A') (A') (A') (A') (A')
The electronic state is 1-A'.
Alpha occ. eigenvalues -- -20.62346 -20.56584 -11.41694 -11.25819 -1.48664
Alpha occ. eigenvalues -- -0.45178
Alpha virt. eigenvalues -0.15730 0.21427 0.25443 0.29046 0.31888
Alpha virt. eigenvalues -1.55529 2.03110 2.12250
Condensed to atoms (all electrons):
1
2
3
4
5
6
1 C
5.334814 0.244991 -0.105773 -0.087694 0.358712 0.381388
2 C
0.244991 4.503263 0.499416 0.154492 -0.034487 -0.033224
3 O -0.105773 0.499416 8.271004 -0.119133 0.003592 0.000264
4 O -0.087694 0.154492 -0.119133 8.507294 0.004418 0.001649
5 H
0.358712 -0.034487 0.003592 0.004418 0.514106 -0.022071
6 H
0.381388 -0.033224 0.000264 0.001649 -0.022071 0.473545
7 H
0.381388 -0.033224 0.000264 0.001649 -0.022071 -0.017516
8 H
0.005988 -0.018089 0.005253 0.255245 -0.000250 -0.000152
7
8
1 C
0.381388 0.005988
2 C -0.033224 -0.018089
3 O
0.000264 0.005253
4 O
0.001649 0.255245
5 H -0.022071 -0.000250
6 H -0.017516 -0.000152
7 H
0.473545 -0.000152
8 H -0.000152 0.312682
Mulliken atomic charges:
1
1 C -0.513813
2 C
0.716863
3 O -0.554887
4 O -0.717921
5 H
0.198050
6 H
0.216117
7 H
0.216117
8 H
0.439474
Sum of Mulliken charges= 0.00000
Atomic charges with hydrogens summed into heavy atoms:
1
1 C
0.116471
2 C
0.716863
3 O -0.554887
4 O -0.278446
5 H
0.000000
6 H
0.000000
7 H
0.000000
8 H
0.000000
Electronic spatial extent (au): <R**2>= 259.3362
Charge=
0.0000 electrons
Dipole moment (field-independent basis, Debye):
X=
0.4347
Y=
-1.7088
Z=
0.0000 Tot=
1.7632
Quadrupole moment (field-independent basis, Debye-Ang):
XX= -23.1335 YY= -25.7303 ZZ= -23.0486
XY=
6.7019 XZ=
0.0000 YZ=
0.0000
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX=
0.8373 YY=
-1.7596 ZZ=
0.9222
XY=
6.7019 XZ=
0.0000 YZ=
0.0000
Octapole moment (field-independent basis, Debye-Ang**2):
XXX=
5.9228 YYY=
-2.4730 ZZZ=
0.0000 XYY=
6.2097
XXY=
5.8258 XXZ=
0.0000 XZZ=
-0.2437 YZZ=
1.0628
YYZ=
0.0000 XYZ=
0.0000
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= -131.5382 YYYY= -145.6250 ZZZZ= -25.5389 XXXY=
1.1716
XXXZ=
0.0000 YYYX=
-9.7130 YYYZ=
0.0000 ZZZX=
0.0000
ZZZY=
0.0000 XXYY= -42.7768 XXZZ= -26.2947 YYZZ= -28.0711
XXYZ=
0.0000 YYXZ=
0.0000 ZZXY=
-3.3273
N-N= 1.201470091740D+02 E-N=-7.767512941877D+02 KE= 2.276256397351D+02
Symmetry A' KE= 2.175313883192D+02
Symmetry A" KE= 1.009425141591D+01
1|1|UNPC-UNK|SP|RMP2-FC|6-31G|C2H4O2|PCUSER|11-May-2013|0||# MP2/6-31G
GEOM=CONNECTIVITY||Title Card Required||0,1|C,0,-0.06184375,-1.431625
,0.|C,0,-0.06184375,0.088375,0.|O,0,-1.11784375,0.698375,0.|O,0,1.1161
5625,0.768375,0.|H,0,0.96615625,-1.795625,0.|H,0,-0.57584375,-1.795625
,0.89|H,0,-0.57584375,-1.795625,-0.89|H,0,0.94115625,1.712375,0.||Vers
ion=IA32W-G03RevC.01|State=1-A'|HF=-227.6956748|MP2=-228.1227965|RMSD=
2.901e-009|PG=CS [SG(C2H2O2),X(H2)]||@
THE REAL VOYAGE OF DISCOVERY CONSISTS NOT IN SEEKING NEW LANDSCAPES
BUT IN HAVING NEW EYES.
-- MARCEL PROUST
Job cpu time: 0 days 0 hours 0 minutes 7.0 seconds.
File lengths (MBytes): RWF=
11 Int=
0 D2E=
0 Chk=
1
Normal termination of Gaussian 03 at Sat May 11 07:42:22 2013.
6472.
7 Scr=

written license.
Gaussian, Inc.
--------------------------------------------------------------Cite this work as:
******************************************
14-May-2013
******************************************
%chk=D:\etena.chk
---------------------------# opt rpm3 geom=connectivity
---------------------------1/14=-1,18=50,26=3,38=1,57=2/1,3;
2/9=110,17=6,18=5,40=1/2;
3/5=2,11=1,12=1,16=1,25=1,30=1/1;
4/5=3,7=1,11=1,20=7,22=1,24=3,35=1/1,2;
6/7=2,8=2,9=2,10=2/1;
7//16;
1/14=-1,18=50/3(1);
99//99;
2/9=110/2;
3/5=2,11=1,12=1,16=1,25=1,30=1/1;
4/5=5,7=1,11=1,16=3,20=7,22=1,24=3,35=1/1,2;
7//16;
1/14=-1,18=50/3(-4);
2/9=110/2;
6/7=2,8=2,9=2,10=2/1;
99//99;
C
0.00006 -0.675
0.
C
0.00006 0.675
0.
H
0.92406 -1.251
0.
H
-0.92494 -1.25
0.
H
-0.92494 1.251
0.
H
0.92506 1.25
0.
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
Berny optimization.
Initialization pass.
---------------------------!
Initial Parameters
!
! (Angstroms and Degrees) !
-------------------------------------------------! Name Definition
Value
Derivative Info.
!
------------------------------------------------------------------------------! R1
R(1,2)
1.35
estimate D2E/DX2
R(1,3)
1.0888
estimate D2E/DX2
R(1,4)
1.0892
estimate D2E/DX2
R(2,5)
1.0897
estimate D2E/DX2
R(2,6)
1.0892
estimate D2E/DX2
121.9384
estimate D2E/DX2
!
! R2
!
! R3
!
! R4
!
! R5
!
! A1
!
A(2,1,3)
! A2
A(2,1,4)
121.866
estimate D2E/DX2
A(3,1,4)
116.1956
estimate D2E/DX2
A(1,2,5)
121.9106
estimate D2E/DX2
A(1,2,6)
121.866
estimate D2E/DX2
A(5,2,6)
116.2234
estimate D2E/DX2
D(3,1,2,5)
180.0
estimate D2E/DX2
D(3,1,2,6)
0.0
estimate D2E/DX2
D(4,1,2,5)
0.0
estimate D2E/DX2
!
! A3
!
! A4
!
! A5
!
! A6
!
! D1
!
! D2
!
! D3
!
------------------------------------------------------------------------------Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06
Number of steps in this run= 24 maximum allowed number of steps= 100.
Input orientation:
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
0.000063 -0.675000
0.000000
2
6
0
0.000063
0.675000
0.000000
3
1
0
0.924063 -1.251000
0.000000
4
1
0
-0.924938 -1.250000
0.000000
5
1
0
-0.924938
1.251000
0.000000
6
1
0
0.925063
1.250000
0.000000
1
2
3
4
5
1 C
0.000000
2 C
1.350000 0.000000
3 H
1.088831 2.136177 0.000000
4 H
1.089151 2.135708 1.849000 0.000000
5 H
2.136610 1.089679 3.111078 2.501000 0.000000
6 H
2.135708 1.089151 2.501000 3.110064 1.850000
6
6 H
0.000000
Stoichiometry
C2H4
Framework group CS[SG(C2H4)]
Deg. of freedom
9
Full point group
CS
NOp 2
CS
NOp 2
Largest concise Abelian subgroup C1
NOp 1
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
0.000062
0.675000
0.000000
2
6
0
0.000063 -0.675000
0.000000
3
1
0
0.924063
1.251000
0.000000
4
1
0
-0.924938
1.250000
0.000000
5
1
0
-0.924938 -1.251000
0.000000
6
1
0
0.925063 -1.250000
0.000000
146.5963964
29.3161170
24.4305366
Standard basis: VSTO-3G (5D, 7F)
There are
There are
262144 words long.
12 basis functions,
36 primitive gaussians,
ns
6 alpha electrons
6 beta electrons
19.3445882701 Hartrees.
NAtoms=
6 NActive=
6 NUniq=
Simple Huckel Guess.
Occupied (A') (A') (A') (A') (A') (A")
Virtual (A") (A') (A') (A') (A') (A')
RHF-PM3 calculation of energy and first derivatives.
MO and density RWFs will be updated without deorthogonalization.
Closed-shell calculation:
6 occupied levels.
NNHCO=
0.
References:
H: (PM3): J. J. P. STEWART, J. COMP. CHEM.
10, 209 (1989).
C: (PM3): J. J. P. STEWART, J. COMP. CHEM.
10, 209 (1989).
Ext34=T Pulay=F Camp-King=F BShift= 0.00D+00
It= 1 PL= 0.645D+00 DiagD=T ESCF=
1.973278 Diff=-0.236D+01 RMSDP= 0.408D+
00.
It= 2 PL= 0.439D-01 DiagD=T ESCF=
0.848519 Diff=-0.112D+01 RMSDP= 0.833D02.
It= 3 PL= 0.124D-01 DiagD=F ESCF=
0.762300 Diff=-0.862D-01 RMSDP= 0.374D02.
0.749438 Diff=-0.129D-01 RMSDP= 0.366D03.
0.753211 Diff= 0.377D-02 RMSDP= 0.169D03.
3-point extrapolation.
0.753181 Diff=-0.294D-04 RMSDP= 0.158D03.
0.750708 Diff=-0.247D-02 RMSDP= 0.130D02.
0.753683 Diff= 0.298D-02 RMSDP= 0.616D03.
0.753292 Diff=-0.391D-03 RMSDP= 0.584D03.
0.753056 Diff=-0.236D-03 RMSDP= 0.884D05.
0.753173 Diff= 0.116D-03 RMSDP= 0.221D05.
0.753173 Diff=-0.484D-08 RMSDP= 0.130D05.
0.753173 Diff=-0.121D-08 RMSDP= 0.117D06.
0.753173 Diff= 0.430D-09 RMSDP= 0.511D07.
Energy=
0.027679125119 NIter= 15.
Dipole moment=
-0.000071
-0.000095
0.000000
**********************************************************************

**********************************************************************
Orbital symmetries:
Occupied (A') (A') (A') (A') (A') (A")
Virtual (A") (A') (A') (A') (A') (A')
Alpha virt. eigenvalues -0.20825
1
2
3
4
5
6
1 C
4.156617 0.000000 0.000000 0.000000 0.000000 0.000000
2 C
0.000000 4.156608 0.000000 0.000000 0.000000 0.000000
3 H
0.000000 0.000000 0.921651 0.000000 0.000000 0.000000
4 H
0.000000 0.000000 0.000000 0.921787 0.000000 0.000000
5 H
0.000000 0.000000 0.000000 0.000000 0.921604 0.000000
6 H
0.000000 0.000000 0.000000 0.000000 0.000000 0.921733
1
1 C -0.156617
2 C -0.156608
3 H
0.078349
4 H
0.078213
5 H
0.078396
6 H
0.078267
1
1 C -0.000055
2 C
0.000055
3 H
0.000000
4 H
0.000000
5 H
0.000000
6 H
0.000000
***** Axes restored to original set *****
------------------------------------------------------------------Center
Atomic
Forces (Hartrees/Bohr)
Number
Number
X
Y
Z
------------------------------------------------------------------1
6
-0.000279741
0.037592904
0.000000000
2
6
-0.000172208 -0.037355345
0.000000000
3
1
-0.003479501 -0.000103442
0.000000000
4
1
0.003665429 -0.000066584
0.000000000
5
1
0.003965073 -0.000149516
0.000000000
6
1
-0.003699052
0.000081983
0.000000000
------------------------------------------------------------------Cartesian Forces: Max
0.037592904 RMS
0.012613369
Berny optimization.
Internal Forces: Max
0.037422878 RMS
0.010218768
Search for a local minimum.
Step number 1 out of a maximum of 24
All quantities printed in internal units (Hartrees-Bohrs-Radians)
Second derivative matrix not updated -- first step.
RFO step: Lambda= 6.58196514D-04.

Linear search not attempted -- first point.
Iteration 1 RMS(Cart)= 0.02018333 RMS(Int)= 0.00005262
Variable
Old X
-DE/DX Delta X Delta X Delta X
New X
(Linear)
(Quad) (Total)
R1
2.55113 -0.03742 0.00000 -0.06792 -0.06792 2.48321
R2
2.05759 -0.00290 0.00000 -0.00824 -0.00824 2.04935
R3
2.05820 -0.00308 0.00000 -0.00877 -0.00877 2.04943
R4
2.05920 -0.00344 0.00000 -0.00983 -0.00983 2.04936
R5
2.05820 -0.00310 0.00000 -0.00882 -0.00882 2.04937
A1
2.12823 0.00128 0.00000 0.00803 0.00803 2.13625
A2
2.12696 0.00141 0.00000 0.00884 0.00884 2.13581
A3
2.02800 -0.00269 0.00000 -0.01687 -0.01687 2.01112
A4
2.12774 0.00132 0.00000 0.00826 0.00826 2.13600
A5
2.12696 0.00142 0.00000 0.00893 0.00893 2.13589
A6
2.02848 -0.00274 0.00000 -0.01718 -0.01718 2.01130
D1
3.14159 0.00000 0.00000 0.00000 0.00000 3.14159
D2
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
D3
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Item
Value
Threshold Converged?
Maximum Force
0.037423
0.000450
NO
RMS
Force
0.010219
0.000300
NO
Maximum Displacement
0.034013
0.001800
NO
RMS
Displacement
0.020228
0.001200
NO
Predicted change in Energy=-1.398123D-03
Input orientation:
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
-0.000202 -0.657001
0.000000
2
6
0
0.000070
0.657059
0.000000
3
1
0
0.915341 -1.238252
0.000000
4
1
0
-0.916283 -1.237486
0.000000
5
1
0
-0.915629
1.238078
0.000000
6
1
0
0.916077
1.237602
0.000000
1
2
3
4
5
1 C
0.000000
2 C
1.314060 0.000000
3 H
1.084469 2.104738 0.000000
4 H
1.084512 2.104519 1.831624 0.000000
5 H
2.104597 1.084476 3.079718 2.475564 0.000000
6 H
2.104540 1.084481 2.475854 3.079546 1.831706
6
6 H
0.000000
Stoichiometry
C2H4
Deg. of freedom
9
Full point group
CS
NOp 2
CS
NOp 2
NOp 1
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
0.000014
0.657019
0.000000
2
6
0
0.000014 -0.657041
0.000000
3
1
0
0.915678
1.238080
0.000000
4
1
0
-0.915946
1.237694
0.000000
5
1
0
-0.915805 -1.237870
0.000000
6
1
0
0.915901 -1.237774
0.000000
149.4651263
30.5593702
25.3718811
There are
There are
262144 words long.
12 basis functions,
ns
6 alpha electrons
6 beta electrons
19.6224938917 Hartrees.
NAtoms=
6 NActive=
6 NUniq=
Initial guess read from the read-write file:
Occupied (A') (A') (A') (A') (A') (A")
Virtual (A") (A') (A') (A') (A') (A')
6 occupied levels.
NNHCO=
0.
References:
10, 209 (1989).
10, 209 (1989).
2.150636 Diff=-0.219D+01 RMSDP= 0.408D+
00.
0.820604 Diff=-0.133D+01 RMSDP= 0.837D02.
0.732808 Diff=-0.878D-01 RMSDP= 0.322D02.
0.722979 Diff=-0.983D-02 RMSDP= 0.137D03.
0.725557 Diff= 0.258D-02 RMSDP= 0.439D04.
0.725555 Diff=-0.199D-05 RMSDP= 0.250D04.
0.725552 Diff=-0.304D-05 RMSDP= 0.555D04.
0.725556 Diff= 0.323D-05 RMSDP= 0.199D04.
0.725555 Diff=-0.392D-06 RMSDP= 0.126D04.
0.725555 Diff=-0.111D-06 RMSDP= 0.871D06.
0.725555 Diff= 0.455D-07 RMSDP= 0.346D06.
0.725555 Diff=-0.125D-09 RMSDP= 0.287D06.
0.725555 Diff=-0.568D-10 RMSDP= 0.233D07.
Energy=
0.026664180001 NIter= 14.
Dipole moment=
-0.000002
0.000005
0.000000
------------------------------------------------------------------Center
Atomic
Number
Number
X
Y
Z
------------------------------------------------------------------1
6
-0.000054708 -0.009793033
0.000000000
2
6
0.000030692
0.009769428
0.000000000
3
1
-0.000183081 -0.002139533
0.000000000
4
1
0.000210456 -0.002148695
0.000000000
5
1
0.000195713
0.002153585
0.000000000
6
1
-0.000199073
0.002158247
0.000000000
0.009793033 RMS
0.003415612
Berny optimization.
0.014081265 RMS
0.003989582
2 1 0.8611487E-03 0.1141726E-02 0.7542518
Update second derivatives using D2CorL and points 1 2
Trust test= 7.26D-01 RLast= 7.62D-02 DXMaxT set to 3.00D-01
Quartic linear search produced a step of -0.22138.
Variable
Old X
New X
(Linear)
(Quad) (Total)
R1
2.48321 0.01408 0.01504 0.00022 0.01526 2.49847
R2
2.04935 0.00099 0.00182 -0.00024 0.00159 2.05094
R3
2.04943 0.00097 0.00194 -0.00041 0.00153 2.05096
R4
2.04936 0.00099 0.00218 -0.00065 0.00153 2.05089
R5
2.04937 0.00099 0.00195 -0.00039 0.00156 2.05093
A1
2.13625 0.00128 -0.00178 0.00764 0.00587 2.14212
A2
2.13581 0.00133 -0.00196 0.00808 0.00612 2.14193
A3
2.01112 -0.00262 0.00374 -0.01572 -0.01199 1.99914
A4
2.13600 0.00131 -0.00183 0.00781 0.00598 2.14198
A5
2.13589 0.00132 -0.00198 0.00806 0.00608 2.14197
A6
2.01130 -0.00263 0.00380 -0.01587 -0.01207 1.99923
D1
3.14159 0.00000 0.00000 0.00000 0.00000 3.14159
D2
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
D3
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Item
Value
Maximum Force
0.014081
0.000450
NO
RMS
Force
0.003990
0.000300
NO
0.018959
0.001800
NO
RMS
Displacement
0.010863
0.001200
NO
Input orientation:
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
-0.000260 -0.661048
0.000000
2
6
0
0.000085
0.661084
0.000000
3
1
0
0.912533 -1.248164
0.000000
4
1
0
-0.913484 -1.247518
0.000000
5
1
0
-0.912769
1.248060
0.000000
6
1
0
0.913269
1.247586
0.000000
1
2
3
4
5
1 C
0.000000
2 C
1.322132 0.000000
3 H
1.085309 2.116079 0.000000
4 H
1.085323 2.115980 1.826017 0.000000
5 H
2.115979 1.085285 3.092388 2.495578 0.000000
6 H
2.115991 1.085306 2.495751 3.092341 1.826038
6
6 H
0.000000
Stoichiometry
C2H4
Deg. of freedom
9
Full point group
CS
NOp 2
CS
NOp 2
NOp 1
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
0.000006
0.661059
0.000000
2
6
0
0.000006 -0.661073
0.000000
3
1
0
0.912952
1.247938
0.000000
4
1
0
-0.913065
1.247768
0.000000
5
1
0
-0.913001 -1.247810
0.000000
6
1
0
0.913037 -1.247813
0.000000
150.3894753
30.1443800
25.1110656
There are
There are
262144 words long.
12 basis functions,
ns
6 alpha electrons
6 beta electrons
19.5525056846 Hartrees.
NAtoms=
6 NActive=
6 NUniq=
Occupied (A') (A') (A') (A') (A') (A")
Virtual (A") (A') (A') (A') (A') (A')
6 occupied levels.
NNHCO=
0.
References:
10, 209 (1989).
10, 209 (1989).
2.190389 Diff=-0.215D+01 RMSDP= 0.408D+
00.

0.819051 Diff=-0.137D+01 RMSDP=
02.
0.728069 Diff=-0.910D-01 RMSDP=
02.
0.717839 Diff=-0.102D-01 RMSDP=
03.
0.720522 Diff= 0.268D-02 RMSDP=
04.
0.720520 Diff=-0.216D-05 RMSDP=
04.
0.720516 Diff=-0.390D-05 RMSDP=
04.
0.720520 Diff= 0.422D-05 RMSDP=
04.
0.720519 Diff=-0.532D-06 RMSDP=
04.
0.720519 Diff=-0.155D-06 RMSDP=
05.
0.720519 Diff= 0.642D-07 RMSDP=
06.
0.720519 Diff=-0.180D-09 RMSDP=
06.
0.720519 Diff=-0.810D-10 RMSDP=
07.
Energy=
0.026479115129 NIter= 14.
Dipole moment=
0.000001
0.000006
0.000000
------------------------------------------------------------------Center
Atomic
Number
Number
X
Y
Z
------------------------------------------------------------------1
6
-0.000018286
0.001146875
0.000000000
2
6
0.000020040 -0.001169515
0.000000000
3
1
-0.000141308 -0.000923083
0.000000000
4
1
0.000150741 -0.000928676
0.000000000
5
1
0.000132716
0.000940642
0.000000000
6
1
-0.000143903
0.000933758
0.000000000
0.001169515 RMS
0.000588598
0.853D0.329D0.142D0.458D0.263D0.642D0.231D0.149D0.106D0.416D0.340D-
Berny optimization.
0.001180236 RMS
0.000611807
2 1 -0.5150029E-04 0.6170906E-04 0.8345662
Trust test= 1.16D+00 RLast= 2.60D-02 DXMaxT set to 3.00D-01
Quartic linear search produced a step of 0.21718.
Variable
Old X
New X
(Linear)
(Quad) (Total)
R1
2.49847 0.00070 0.00331 -0.00429 -0.00097 2.49750
R2
2.05094 0.00038 0.00034 0.00137 0.00172 2.05266
R3
2.05096 0.00037 0.00033 0.00134 0.00167 2.05264
0.265D-
R4
R5
A1
A2
A3
A4
A5
A6
D1
D2
D3
2.05089 0.00040 0.00033 0.00143 0.00176 2.05265

2.05093 0.00038 0.00034 0.00138 0.00172 2.05265
2.14212 0.00058 0.00127 0.00607 0.00734 2.14947
2.14193 0.00060 0.00133 0.00631 0.00764 2.14957
1.99914 -0.00117 -0.00260 -0.01238 -0.01499 1.98415
2.14198 0.00059 0.00130 0.00622 0.00752 2.14950
2.14197 0.00059 0.00132 0.00625 0.00757 2.14955
1.99923 -0.00118 -0.00262 -0.01247 -0.01509 1.98414
3.14159 0.00000 0.00000 0.00000 0.00000 3.14159
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Item
Value
Maximum Force
0.001180
0.000450
NO
RMS
Force
0.000612
0.000300
NO
0.013529
0.001800
NO
RMS
Displacement
0.008069
0.001200
NO
Input orientation:
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
-0.000320 -0.660811
0.000000
2
6
0
0.000098
0.660806
0.000000
3
1
0
0.908865 -1.255163
0.000000
4
1
0
-0.909810 -1.254678
0.000000
5
1
0
-0.909065
1.255191
0.000000
6
1
0
0.909608
1.254654
0.000000
1
2
3
4
5
1 C
0.000000
2 C
1.321618 0.000000
3 H
1.086219 2.120565 0.000000
4 H
1.086209 2.120616 1.818676 0.000000
5 H
2.120585 1.086218 3.099475 2.509869 0.000000
6 H
2.120608 1.086216 2.509817 3.099521 1.818673
6
6 H
0.000000
Stoichiometry
C2H4
Deg. of freedom
9
Full point group
CS
NOp 2
CS
NOp 2
NOp 1
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
0.000003 -0.660810
0.000000
2
6
0
0.000003
0.660808
0.000000
3
1
0
-0.909370 -1.254874
0.000000
4
1
0
0.909305 -1.254963
0.000000
5
1
0
0.909353
1.254905
0.000000
6
1
0
-0.909320
1.254943
0.000000
151.6080302
30.0308843
25.0657918

There are
There are
262144 words long.
12 basis functions,
ns
6 alpha electrons
6 beta electrons
19.5389731565 Hartrees.
NAtoms=
6 NActive=
6 NUniq=
Occupied (A') (A') (A') (A') (A') (A")
Virtual (A") (A') (A') (A') (A') (A')
6 occupied levels.
NNHCO=
0.
References:
10, 209 (1989).
10, 209 (1989).
47.678543 Diff= 0.433D+02 RMSDP= 0.408D+
00.
17.644779 Diff=-0.300D+02 RMSDP= 0.135D+
00.
It= 3 PL= 0.124D+00 DiagD=F ESCF=
3.979235 Diff=-0.137D+02 RMSDP= 0.129D+
00.
-2.710020 Diff=-0.669D+01 RMSDP= 0.217D01.
1.019705 Diff= 0.373D+01 RMSDP= 0.269D01.
0.869664 Diff=-0.150D+00 RMSDP= 0.314D02.
0.684242 Diff=-0.185D+00 RMSDP= 0.169D02.
0.719934 Diff= 0.357D-01 RMSDP= 0.207D03.
0.719895 Diff=-0.383D-04 RMSDP= 0.120D03.
0.719885 Diff=-0.102D-04 RMSDP= 0.133D04.
0.719889 Diff= 0.389D-05 RMSDP= 0.930D05.
0.719889 Diff=-0.377D-07 RMSDP= 0.129D05.
0.719889 Diff=-0.132D-08 RMSDP= 0.297D06.
0.719889 Diff= 0.902D-10 RMSDP= 0.840D07.
Energy=
0.026455956552 NIter= 15.
Dipole moment=
0.000000
0.000001
0.000000
------------------------------------------------------------------Center
Atomic
Number
Number
X
Y
Z
------------------------------------------------------------------1
6
0.000013004 -0.000626699
0.000000000
2
6
-0.000008175
0.000630053
0.000000000
3
1
0.000035315
0.000131369
0.000000000
4
1
-0.000042002
0.000133437
0.000000000
5
1
-0.000036499 -0.000133259
0.000000000
6
1
0.000038356 -0.000134901
0.000000000
0.000630053 RMS
0.000219442
Berny optimization.
0.000361891 RMS
0.000129889
2 1 0.8110899E-05 0.1272085E-04 0.6376064
Variable
Old X
New X
(Linear)
(Quad) (Total)
R1
2.49750 0.00036 0.00013 0.00051 0.00064 2.49814
R2
2.05266 -0.00004 -0.00024 0.00003 -0.00021 2.05245
R3
2.05264 -0.00004 -0.00023 0.00004 -0.00019 2.05244
R4
2.05265 -0.00004 -0.00024 0.00003 -0.00021 2.05244
R5
2.05265 -0.00004 -0.00024 0.00003 -0.00021 2.05244
A1
2.14947 -0.00008 -0.00101 -0.00001 -0.00102 2.14845
A2
2.14957 -0.00010 -0.00105 -0.00005 -0.00110 2.14847
A3
1.98415 0.00018 0.00206 0.00006 0.00212 1.98627
A4
2.14950 -0.00009 -0.00103 -0.00001 -0.00105 2.14845
A5
2.14955 -0.00009 -0.00104 -0.00004 -0.00108 2.14846
A6
1.98414 0.00018 0.00208 0.00006 0.00213 1.98627
D1
3.14159 0.00000 0.00000 0.00000 0.00000 3.14159
D2
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
D3
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Item
Value
Maximum Force
0.000362
0.000450
YES
RMS
Force
0.000130
0.000300
YES
0.001650
0.001800
YES
RMS
Displacement
0.001028
0.001200
YES
Optimization completed.
-- Stationary point found.
---------------------------! Optimized Parameters !
-------------------------------------------------! Name Definition
Value
Derivative Info.
!
------------------------------------------------------------------------------! R1
R(1,2)
1.3216
-DE/DX =
0.0004
R(1,3)
1.0862
-DE/DX =
0.0
R(1,4)
1.0862
-DE/DX =
0.0
R(2,5)
1.0862
-DE/DX =
0.0
!
! R2
!
! R3
!
! R4
!
! R5
R(2,6)
1.0862
-DE/DX =
0.0
A(2,1,3)
123.1553
-DE/DX =
-0.0001
A(2,1,4)
123.1613
-DE/DX =
-0.0001
A(3,1,4)
113.6834
-DE/DX =
0.0002
A(1,2,5)
123.1574
-DE/DX =
-0.0001
A(1,2,6)
123.1599
-DE/DX =
-0.0001
A(5,2,6)
113.6827
-DE/DX =
0.0002
D(3,1,2,5)
180.0
-DE/DX =
0.0
D(3,1,2,6)
0.0
-DE/DX =
0.0
D(4,1,2,5)
0.0
-DE/DX =
0.0
!
! A1
!
! A2
!
! A3
!
! A4
!
! A5
!
! A6
!
! D1
!
! D2
!
! D3
!
------------------------------------------------------------------------------GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
Input orientation:
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
-0.000320 -0.660811
0.000000
2
6
0
0.000098
0.660806
0.000000
3
1
0
0.908865 -1.255163
0.000000
4
1
0
-0.909810 -1.254678
0.000000
5
1
0
-0.909065
1.255191
0.000000
6
1
0
0.909608
1.254654
0.000000
1
2
3
4
5
1 C
0.000000
2 C
1.321618 0.000000
3 H
1.086219 2.120565 0.000000
4 H
1.086209 2.120616 1.818676 0.000000
5 H
2.120585 1.086218 3.099475 2.509869 0.000000
6 H
2.120608 1.086216 2.509817 3.099521 1.818673
6
6 H
0.000000
Stoichiometry
C2H4
Deg. of freedom
9
Full point group
CS
NOp 2
CS
NOp 2
NOp 1
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
0.000003 -0.660810
0.000000
2
6
0
0.000003
0.660808
0.000000
3
1
0
-0.909370 -1.254874
0.000000
4
1
0
0.909305 -1.254963
0.000000
5
1
0
0.909353
1.254905
0.000000
6
1
0
-0.909320
1.254943
0.000000
151.6080302
30.0308843
25.0657918
**********************************************************************
**********************************************************************
Orbital symmetries:
Occupied (A') (A') (A') (A') (A') (A")
Virtual (A") (A') (A') (A') (A') (A')
1
2
3
4
5
6
1 C
4.152446 0.000000 0.000000 0.000000 0.000000 0.000000
2 C
0.000000 4.152447 0.000000 0.000000 0.000000 0.000000
3 H
0.000000 0.000000 0.923783 0.000000 0.000000 0.000000
4 H
0.000000 0.000000 0.000000 0.923771 0.000000 0.000000
5 H
0.000000 0.000000 0.000000 0.000000 0.923780 0.000000
6 H
0.000000 0.000000 0.000000 0.000000 0.000000 0.923774
1
1 C -0.152446
2 C -0.152447
3 H
0.076217
4 H
0.076229
5 H
0.076220
6 H
0.076226
1
1 C
0.000001
2 C -0.000001
3 H
0.000000
4 H
0.000000
5 H
0.000000
6 H
0.000000
1|1|UNPC-UNK|FOpt|RPM3|ZDO|C2H4|PCUSER|14-May-2013|0||# OPT RPM3 GEOM=
CONNECTIVITY||Title Card Required||0,1|C,-0.0002115278,-0.6608097168,0
.|C,0.0002061639,0.6608078026,0.|H,0.9089737143,-1.2551611149,0.|H,-0.
9097017311,-1.2546759643,0.|H,-0.9089563822,1.2551927114,0.|H,0.909716
5823,1.2546558529,0.||Version=IA32W-G03RevC.01|State=1-A'|HF=0.026456|
RMSD=0.000e+000|RMSF=2.194e-004|Dipole=0.0000005,0.0000009,0.|PG=CS [S
G(C2H4)]||@
WE HAVE SEEN THAT MAN ON THE AVERAGE DOES NOT LIVE ABOVE
TWO-AND-TWENTY YEARS. DURING THESE TWO AND TWENTY
YEARS HE IS LIABLE TO TWO AND TWENTY THOUSAND EVILS,
MANY OF WHICH ARE INCURABLE. YET EVEN IN THIS DREADFUL STATE
MEN STILL STRUT AND POSE ON THE STAGE OF LIFE.

THEY MAKE LOVE AT THE RISK OF DESTRUCTION,
INTRIGUE, CARRY ON WAR, AND FORM PROJECTS, JUST AS IF THEY
WERE TO LIVE IN LUXURY AND HAPPINESS FOR A THOUSAND
AGES.
-- VOLTAIRE
11 Int=
0 D2E=
0 Chk=
1
Normal termination of Gaussian 03 at Tue May 14 18:02:20 2013.
6472.

written license.
Gaussian, Inc.
4 Scr=
--------------------------------------------------------------Cite this work as:

******************************************
14-May-2013
******************************************
%chk=D:\etena.chk
---------------------------# opt rpm3 geom=connectivity
---------------------------1/14=-1,18=50,26=3,38=1,57=2/1,3;
2/9=110,17=6,18=5,40=1/2;
3/5=2,11=1,12=1,16=1,25=1,30=1/1;
4/5=3,7=1,11=1,20=7,22=1,24=3,35=1/1,2;
6/7=2,8=2,9=2,10=2/1;
7//16;
1/14=-1,18=50/3(1);
99//99;
2/9=110/2;
3/5=2,11=1,12=1,16=1,25=1,30=1/1;
4/5=5,7=1,11=1,16=3,20=7,22=1,24=3,35=1/1,2;
7//16;
1/14=-1,18=50/3(-4);
2/9=110/2;
6/7=2,8=2,9=2,10=2/1;
99//99;
C
0.00006 -0.675
0.
C
0.00006 0.675
0.
H
0.92406 -1.251
0.
H
-0.92494 -1.25
0.
H
-0.92494 1.251
0.
H
0.92506 1.25
0.
Berny optimization.
Initialization pass.
---------------------------!
Initial Parameters
!
-------------------------------------------------! Name Definition
Value
Derivative Info.
!
------------------------------------------------------------------------------! R1
R(1,2)
1.35
estimate D2E/DX2
R(1,3)
1.0888
estimate D2E/DX2
R(1,4)
1.0892
estimate D2E/DX2
R(2,5)
1.0897
estimate D2E/DX2
R(2,6)
1.0892
estimate D2E/DX2
A(2,1,3)
121.9384
estimate D2E/DX2
A(2,1,4)
121.866
estimate D2E/DX2
A(3,1,4)
116.1956
estimate D2E/DX2
A(1,2,5)
121.9106
estimate D2E/DX2
A(1,2,6)
121.866
estimate D2E/DX2
A(5,2,6)
116.2234
estimate D2E/DX2
D(3,1,2,5)
180.0
estimate D2E/DX2
D(3,1,2,6)
0.0
estimate D2E/DX2
D(4,1,2,5)
0.0
estimate D2E/DX2
!
! R2
!
! R3
!
! R4
!
! R5
!
! A1
!
! A2
!
! A3
!
! A4
!
! A5
!
! A6
!
! D1
!
! D2
!
! D3
!
------------------------------------------------------------------------------Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06
Number of steps in this run= 24 maximum allowed number of steps= 100.
Input orientation:
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
0.000063 -0.675000
0.000000
2
6
0
0.000063
0.675000
0.000000
3
1
0
0.924063 -1.251000
0.000000
4
1
0
-0.924938 -1.250000
0.000000
5
1
0
-0.924938
1.251000
0.000000
6
1
0
0.925063
1.250000
0.000000
---------------------------------------------------------------------
Distance matrix (angstroms):

1
2
3
4
5
1 C
0.000000
2 C
1.350000 0.000000
3 H
1.088831 2.136177 0.000000
4 H
1.089151 2.135708 1.849000 0.000000
5 H
2.136610 1.089679 3.111078 2.501000 0.000000
6 H
2.135708 1.089151 2.501000 3.110064 1.850000
6
6 H
0.000000
Stoichiometry
C2H4
Deg. of freedom
9
Full point group
CS
NOp 2
CS
NOp 2
NOp 1
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
0.000062
0.675000
0.000000
2
6
0
0.000063 -0.675000
0.000000
3
1
0
0.924063
1.251000
0.000000
4
1
0
-0.924938
1.250000
0.000000
5
1
0
-0.924938 -1.251000
0.000000
6
1
0
0.925063 -1.250000
0.000000
146.5963964
29.3161170
24.4305366
There are
There are
262144 words long.
12 basis functions,
ns
6 alpha electrons
6 beta electrons
19.3445882701 Hartrees.
NAtoms=
6 NActive=
6 NUniq=
Simple Huckel Guess.
Occupied (A') (A') (A') (A') (A') (A")
Virtual (A") (A') (A') (A') (A') (A')
6 occupied levels.
NNHCO=
0.
References:
10, 209 (1989).
10, 209 (1989).
1.973278 Diff=-0.236D+01 RMSDP= 0.408D+
00.
0.848519 Diff=-0.112D+01 RMSDP= 0.833D02.
0.762300 Diff=-0.862D-01 RMSDP= 0.374D02.
0.749438 Diff=-0.129D-01 RMSDP= 0.366D-
03.
0.753211
03.
0.753181
03.
0.750708
02.
0.753683
03.
0.753292
03.
0.753056
05.
0.753173
05.
0.753173
05.
0.753173
06.
0.753173
07.
Energy=
0.027679125119 NIter= 15.
Dipole moment=
-0.000071
-0.000095
Diff= 0.377D-02 RMSDP= 0.169DDiff=-0.294D-04 RMSDP= 0.158DDiff=-0.247D-02 RMSDP= 0.130DDiff= 0.298D-02 RMSDP= 0.616DDiff=-0.391D-03 RMSDP= 0.584DDiff=-0.236D-03 RMSDP= 0.884DDiff= 0.116D-03 RMSDP= 0.221DDiff=-0.484D-08 RMSDP= 0.130DDiff=-0.121D-08 RMSDP= 0.117DDiff= 0.430D-09 RMSDP= 0.511D0.000000
**********************************************************************
**********************************************************************
Orbital symmetries:
Occupied (A') (A') (A') (A') (A') (A")
Virtual (A") (A') (A') (A') (A') (A')
1
2
3
4
5
6
1 C
4.156617 0.000000 0.000000 0.000000 0.000000 0.000000
2 C
0.000000 4.156608 0.000000 0.000000 0.000000 0.000000
3 H
0.000000 0.000000 0.921651 0.000000 0.000000 0.000000
4 H
0.000000 0.000000 0.000000 0.921787 0.000000 0.000000
5 H
0.000000 0.000000 0.000000 0.000000 0.921604 0.000000
6 H
0.000000 0.000000 0.000000 0.000000 0.000000 0.921733
1
1 C -0.156617
2 C -0.156608
3 H
0.078349
4 H
0.078213
5 H
0.078396
6 H
0.078267
1
1 C -0.000055
2 C
0.000055
3 H
0.000000
4 H
0.000000
5 H
0.000000
6 H
0.000000
------------------------------------------------------------------Center
Atomic
Number
Number
X
Y
Z
------------------------------------------------------------------1
6
-0.000279741
0.037592904
0.000000000
2
6
-0.000172208 -0.037355345
0.000000000
3
1
-0.003479501 -0.000103442
0.000000000
4
1
0.003665429 -0.000066584
0.000000000
5
1
0.003965073 -0.000149516
0.000000000
6
1
-0.003699052
0.000081983
0.000000000
0.037592904 RMS
0.012613369
Berny optimization.
0.037422878 RMS
0.010218768
Second derivative matrix not updated -- first step.
Linear search not attempted -- first point.
Variable
Old X
New X
(Linear)
(Quad) (Total)
R1
2.55113 -0.03742 0.00000 -0.06792 -0.06792 2.48321
R2
2.05759 -0.00290 0.00000 -0.00824 -0.00824 2.04935
R3
2.05820 -0.00308 0.00000 -0.00877 -0.00877 2.04943
R4
2.05920 -0.00344 0.00000 -0.00983 -0.00983 2.04936
R5
2.05820 -0.00310 0.00000 -0.00882 -0.00882 2.04937
A1
2.12823 0.00128 0.00000 0.00803 0.00803 2.13625
A2
2.12696 0.00141 0.00000 0.00884 0.00884 2.13581
A3
2.02800 -0.00269 0.00000 -0.01687 -0.01687 2.01112
A4
2.12774 0.00132 0.00000 0.00826 0.00826 2.13600
A5
2.12696 0.00142 0.00000 0.00893 0.00893 2.13589
A6
2.02848 -0.00274 0.00000 -0.01718 -0.01718 2.01130
D1
3.14159 0.00000 0.00000 0.00000 0.00000 3.14159
D2
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
D3
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Item
Value
Maximum Force
0.037423
0.000450
NO
RMS
Force
0.010219
0.000300
NO
0.034013
0.001800
NO
RMS
Displacement
0.020228
0.001200
NO
Input orientation:
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
---------------------------------------------------------------------
1
6
0
-0.000202 -0.657001
0.000000
2
6
0
0.000070
0.657059
0.000000
3
1
0
0.915341 -1.238252
0.000000
4
1
0
-0.916283 -1.237486
0.000000
5
1
0
-0.915629
1.238078
0.000000
6
1
0
0.916077
1.237602
0.000000
1
2
3
4
5
1 C
0.000000
2 C
1.314060 0.000000
3 H
1.084469 2.104738 0.000000
4 H
1.084512 2.104519 1.831624 0.000000
5 H
2.104597 1.084476 3.079718 2.475564 0.000000
6 H
2.104540 1.084481 2.475854 3.079546 1.831706
6
6 H
0.000000
Stoichiometry
C2H4
Deg. of freedom
9
Full point group
CS
NOp 2
CS
NOp 2
NOp 1
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
0.000014
0.657019
0.000000
2
6
0
0.000014 -0.657041
0.000000
3
1
0
0.915678
1.238080
0.000000
4
1
0
-0.915946
1.237694
0.000000
5
1
0
-0.915805 -1.237870
0.000000
6
1
0
0.915901 -1.237774
0.000000
149.4651263
30.5593702
25.3718811
There are
There are
262144 words long.
12 basis functions,
ns
6 alpha electrons
6 beta electrons
19.6224938917 Hartrees.
NAtoms=
6 NActive=
6 NUniq=
Occupied (A') (A') (A') (A') (A') (A")
Virtual (A") (A') (A') (A') (A') (A')
6 occupied levels.
NNHCO=
0.
References:
10, 209 (1989).
10, 209 (1989).
2.150636 Diff=-0.219D+01 RMSDP= 0.408D+
00.
0.820604 Diff=-0.133D+01 RMSDP=
02.
0.732808 Diff=-0.878D-01 RMSDP=
02.
0.722979 Diff=-0.983D-02 RMSDP=
03.
0.725557 Diff= 0.258D-02 RMSDP=
04.
0.725555 Diff=-0.199D-05 RMSDP=
04.
0.725552 Diff=-0.304D-05 RMSDP=
04.
0.725556 Diff= 0.323D-05 RMSDP=
04.
0.725555 Diff=-0.392D-06 RMSDP=
04.
0.725555 Diff=-0.111D-06 RMSDP=
06.
0.725555 Diff= 0.455D-07 RMSDP=
06.
0.725555 Diff=-0.125D-09 RMSDP=
06.
0.725555 Diff=-0.568D-10 RMSDP=
07.
Energy=
0.026664180001 NIter= 14.
Dipole moment=
-0.000002
0.000005
0.000000
------------------------------------------------------------------Center
Atomic
Number
Number
X
Y
Z
------------------------------------------------------------------1
6
-0.000054708 -0.009793033
0.000000000
2
6
0.000030692
0.009769428
0.000000000
3
1
-0.000183081 -0.002139533
0.000000000
4
1
0.000210456 -0.002148695
0.000000000
5
1
0.000195713
0.002153585
0.000000000
6
1
-0.000199073
0.002158247
0.000000000
0.009793033 RMS
0.003415612
0.837D0.322D0.137D0.439D0.250D0.555D0.199D0.126D0.871D0.346D0.287D-
Berny optimization.
0.014081265 RMS
0.003989582
2 1 0.8611487E-03 0.1141726E-02 0.7542518
Variable
Old X
New X
(Linear)
(Quad) (Total)
R1
2.48321 0.01408 0.01504 0.00022 0.01526 2.49847
R2
2.04935 0.00099 0.00182 -0.00024 0.00159 2.05094
0.233D-
R3
R4
R5
A1
A2
A3
A4
A5
A6
D1
D2
D3
2.04943 0.00097 0.00194 -0.00041 0.00153 2.05096

2.04936 0.00099 0.00218 -0.00065 0.00153 2.05089
2.04937 0.00099 0.00195 -0.00039 0.00156 2.05093
2.13625 0.00128 -0.00178 0.00764 0.00587 2.14212
2.13581 0.00133 -0.00196 0.00808 0.00612 2.14193
2.01112 -0.00262 0.00374 -0.01572 -0.01199 1.99914
2.13600 0.00131 -0.00183 0.00781 0.00598 2.14198
2.13589 0.00132 -0.00198 0.00806 0.00608 2.14197
2.01130 -0.00263 0.00380 -0.01587 -0.01207 1.99923
3.14159 0.00000 0.00000 0.00000 0.00000 3.14159
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Item
Value
Maximum Force
0.014081
0.000450
NO
RMS
Force
0.003990
0.000300
NO
0.018959
0.001800
NO
RMS
Displacement
0.010863
0.001200
NO
Input orientation:
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
-0.000260 -0.661048
0.000000
2
6
0
0.000085
0.661084
0.000000
3
1
0
0.912533 -1.248164
0.000000
4
1
0
-0.913484 -1.247518
0.000000
5
1
0
-0.912769
1.248060
0.000000
6
1
0
0.913269
1.247586
0.000000
1
2
3
4
5
1 C
0.000000
2 C
1.322132 0.000000
3 H
1.085309 2.116079 0.000000
4 H
1.085323 2.115980 1.826017 0.000000
5 H
2.115979 1.085285 3.092388 2.495578 0.000000
6 H
2.115991 1.085306 2.495751 3.092341 1.826038
6
6 H
0.000000
Stoichiometry
C2H4
Deg. of freedom
9
Full point group
CS
NOp 2
CS
NOp 2
NOp 1
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
0.000006
0.661059
0.000000
2
6
0
0.000006 -0.661073
0.000000
3
1
0
0.912952
1.247938
0.000000
4
1
0
-0.913065
1.247768
0.000000
5
1
0
-0.913001 -1.247810
0.000000
6
1
0
0.913037 -1.247813
0.000000
---------------------------------------------------------------------
Rotational constants (GHZ):

150.3894753
30.1443800
25.1110656
There are
There are
262144 words long.
12 basis functions,
ns
6 alpha electrons
6 beta electrons
19.5525056846 Hartrees.
NAtoms=
6 NActive=
6 NUniq=
Occupied (A') (A') (A') (A') (A') (A")
Virtual (A") (A') (A') (A') (A') (A')
6 occupied levels.
NNHCO=
0.
References:
10, 209 (1989).
10, 209 (1989).
2.190389 Diff=-0.215D+01 RMSDP= 0.408D+
00.
0.819051 Diff=-0.137D+01 RMSDP= 0.853D02.
0.728069 Diff=-0.910D-01 RMSDP= 0.329D02.
0.717839 Diff=-0.102D-01 RMSDP= 0.142D03.
0.720522 Diff= 0.268D-02 RMSDP= 0.458D04.
0.720520 Diff=-0.216D-05 RMSDP= 0.263D04.
0.720516 Diff=-0.390D-05 RMSDP= 0.642D04.
0.720520 Diff= 0.422D-05 RMSDP= 0.231D04.
0.720519 Diff=-0.532D-06 RMSDP= 0.149D04.
0.720519 Diff=-0.155D-06 RMSDP= 0.106D05.
0.720519 Diff= 0.642D-07 RMSDP= 0.416D06.
0.720519 Diff=-0.180D-09 RMSDP= 0.340D06.
0.720519 Diff=-0.810D-10 RMSDP= 0.265D07.
Energy=
0.026479115129 NIter= 14.
Dipole moment=
0.000001
0.000006
0.000000
------------------------------------------------------------------Center
Atomic
Number
Number
X
Y
Z
------------------------------------------------------------------1
6
-0.000018286
0.001146875
0.000000000
2
6
0.000020040 -0.001169515
0.000000000
3
1
-0.000141308 -0.000923083
0.000000000
4
1
0.000150741 -0.000928676
0.000000000
5
1
0.000132716
0.000940642
0.000000000
6
1
-0.000143903
0.000933758
0.000000000
0.001169515 RMS
0.000588598
Berny optimization.
0.001180236 RMS
0.000611807
2 1 -0.5150029E-04 0.6170906E-04 0.8345662
Trust test= 1.16D+00 RLast= 2.60D-02 DXMaxT set to 3.00D-01
Quartic linear search produced a step of 0.21718.
Variable
Old X
New X
(Linear)
(Quad) (Total)
R1
2.49847 0.00070 0.00331 -0.00429 -0.00097 2.49750
R2
2.05094 0.00038 0.00034 0.00137 0.00172 2.05266
R3
2.05096 0.00037 0.00033 0.00134 0.00167 2.05264
R4
2.05089 0.00040 0.00033 0.00143 0.00176 2.05265
R5
2.05093 0.00038 0.00034 0.00138 0.00172 2.05265
A1
2.14212 0.00058 0.00127 0.00607 0.00734 2.14947
A2
2.14193 0.00060 0.00133 0.00631 0.00764 2.14957
A3
1.99914 -0.00117 -0.00260 -0.01238 -0.01499 1.98415
A4
2.14198 0.00059 0.00130 0.00622 0.00752 2.14950
A5
2.14197 0.00059 0.00132 0.00625 0.00757 2.14955
A6
1.99923 -0.00118 -0.00262 -0.01247 -0.01509 1.98414
D1
3.14159 0.00000 0.00000 0.00000 0.00000 3.14159
D2
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
D3
0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
Item
Value
Maximum Force
0.001180
0.000450
NO
RMS
Force
0.000612
0.000300
NO
0.013529
0.001800
NO
RMS
Displacement
0.008069
0.001200
NO
Input orientation:
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
-0.000320 -0.660811
0.000000
2
6
0
0.000098
0.660806
0.000000
3
1
0
0.908865 -1.255163
0.000000
4
1
0
-0.909810 -1.254678
0.000000
5
1
0
-0.909065
1.255191
0.000000
6
1
0
0.909608
1.254654
0.000000
1
2
3
4
5
1 C
0.000000
2
3
4
5
6
C
H
H
H
H
1.321618 0.000000
1.086219 2.120565 0.000000
1.086209 2.120616 1.818676 0.000000
2.120585 1.086218 3.099475 2.509869 0.000000
2.120608 1.086216 2.509817 3.099521 1.818673
6
6 H
0.000000
Stoichiometry
C2H4
Deg. of freedom
9
Full point group
CS
NOp 2
CS
NOp 2
NOp 1
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
0.000003 -0.660810
0.000000
2
6
0
0.000003
0.660808
0.000000
3
1
0
-0.909370 -1.254874
0.000000
4
1
0
0.909305 -1.254963
0.000000
5
1
0
0.909353
1.254905
0.000000
6
1
0
-0.909320
1.254943
0.000000
151.6080302
30.0308843
25.0657918
There are
There are
262144 words long.
12 basis functions,
ns
6 alpha electrons
6 beta electrons
19.5389731565 Hartrees.
NAtoms=
6 NActive=
6 NUniq=
Occupied (A') (A') (A') (A') (A') (A")
Virtual (A") (A') (A') (A') (A') (A')
6 occupied levels.
NNHCO=
0.
References:
10, 209 (1989).
10, 209 (1989).
47.678543 Diff= 0.433D+02 RMSDP= 0.408D+
00.
17.644779 Diff=-0.300D+02 RMSDP= 0.135D+
00.
It= 3 PL= 0.124D+00 DiagD=F ESCF=
3.979235 Diff=-0.137D+02 RMSDP= 0.129D+
00.
-2.710020 Diff=-0.669D+01 RMSDP= 0.217D01.
1.019705 Diff= 0.373D+01 RMSDP= 0.269D01.
0.869664 Diff=-0.150D+00 RMSDP= 0.314D-
02.
0.684242 Diff=-0.185D+00 RMSDP=
02.
0.719934 Diff= 0.357D-01 RMSDP=
03.
0.719895 Diff=-0.383D-04 RMSDP=
03.
0.719885 Diff=-0.102D-04 RMSDP=
04.
0.719889 Diff= 0.389D-05 RMSDP=
05.
0.719889 Diff=-0.377D-07 RMSDP=
05.
0.719889 Diff=-0.132D-08 RMSDP=
06.
0.719889 Diff= 0.902D-10 RMSDP=
07.
Energy=
0.026455956552 NIter= 15.
Dipole moment=
0.000000
0.000001
0.000000
------------------------------------------------------------------Center
Atomic
Number
Number
X
Y
Z
------------------------------------------------------------------1
6
0.000013004 -0.000626699
0.000000000
2
6
-0.000008175
0.000630053
0.000000000
3
1
0.000035315
0.000131369
0.000000000
4
1
-0.000042002
0.000133437
0.000000000
5
1
-0.000036499 -0.000133259
0.000000000
6
1
0.000038356 -0.000134901
0.000000000
0.000630053 RMS
0.000219442
0.169D0.207D0.120D0.133D0.930D0.129D0.297D-
Berny optimization.
0.000361891 RMS
0.000129889
2 1 0.8110899E-05 0.1272085E-04 0.6376064
Variable
Old X
New X
(Linear)
(Quad) (Total)
R1
2.49750 0.00036 0.00013 0.00051 0.00064 2.49814
R2
2.05266 -0.00004 -0.00024 0.00003 -0.00021 2.05245
R3
2.05264 -0.00004 -0.00023 0.00004 -0.00019 2.05244
R4
2.05265 -0.00004 -0.00024 0.00003 -0.00021 2.05244
R5
2.05265 -0.00004 -0.00024 0.00003 -0.00021 2.05244
A1
2.14947 -0.00008 -0.00101 -0.00001 -0.00102 2.14845
A2
2.14957 -0.00010 -0.00105 -0.00005 -0.00110 2.14847
A3
1.98415 0.00018 0.00206 0.00006 0.00212 1.98627
A4
2.14950 -0.00009 -0.00103 -0.00001 -0.00105 2.14845
A5
2.14955 -0.00009 -0.00104 -0.00004 -0.00108 2.14846
A6
1.98414 0.00018 0.00208 0.00006 0.00213 1.98627
D1
3.14159 0.00000 0.00000 0.00000 0.00000 3.14159
0.840D-
D2
D3
0.00000
0.00000
0.00000 0.00000 0.00000 0.00000 0.00000

0.00000 0.00000 0.00000 0.00000 0.00000
Item
Value
Maximum Force
0.000362
0.000450
YES
RMS
Force
0.000130
0.000300
YES
0.001650
0.001800
YES
RMS
Displacement
0.001028
0.001200
YES
Optimization completed.
-- Stationary point found.
---------------------------! Optimized Parameters !
-------------------------------------------------! Name Definition
Value
Derivative Info.
!
------------------------------------------------------------------------------! R1
R(1,2)
1.3216
-DE/DX =
0.0004
R(1,3)
1.0862
-DE/DX =
0.0
R(1,4)
1.0862
-DE/DX =
0.0
R(2,5)
1.0862
-DE/DX =
0.0
R(2,6)
1.0862
-DE/DX =
0.0
A(2,1,3)
123.1553
-DE/DX =
-0.0001
A(2,1,4)
123.1613
-DE/DX =
-0.0001
A(3,1,4)
113.6834
-DE/DX =
0.0002
A(1,2,5)
123.1574
-DE/DX =
-0.0001
A(1,2,6)
123.1599
-DE/DX =
-0.0001
A(5,2,6)
113.6827
-DE/DX =
0.0002
D(3,1,2,5)
180.0
-DE/DX =
0.0
D(3,1,2,6)
0.0
-DE/DX =
0.0
D(4,1,2,5)
0.0
-DE/DX =
0.0
!
! R2
!
! R3
!
! R4
!
! R5
!
! A1
!
! A2
!
! A3
!
! A4
!
! A5
!
! A6
!
! D1
!
! D2
!
! D3
!
------------------------------------------------------------------------------GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
Input orientation:
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
-0.000320 -0.660811
0.000000
2
6
0
0.000098
0.660806
0.000000
3
1
0
0.908865 -1.255163
0.000000
4
1
0
-0.909810 -1.254678
0.000000
5
1
0
-0.909065
1.255191
0.000000
6
1
0
0.909608
1.254654
0.000000
1
2
3
4
5
1 C
0.000000
2 C
1.321618 0.000000
3 H
1.086219 2.120565 0.000000
4 H
1.086209 2.120616 1.818676 0.000000
5 H
2.120585 1.086218 3.099475 2.509869 0.000000
6 H
2.120608 1.086216 2.509817 3.099521 1.818673
6
6 H
0.000000
Stoichiometry
C2H4
Deg. of freedom
9
Full point group
CS
NOp 2
CS
NOp 2
NOp 1
--------------------------------------------------------------------Center
Atomic
Atomic
Number
Number
Type
X
Y
Z
--------------------------------------------------------------------1
6
0
0.000003 -0.660810
0.000000
2
6
0
0.000003
0.660808
0.000000
3
1
0
-0.909370 -1.254874
0.000000
4
1
0
0.909305 -1.254963
0.000000
5
1
0
0.909353
1.254905
0.000000
6
1
0
-0.909320
1.254943
0.000000
151.6080302
30.0308843
25.0657918
**********************************************************************
**********************************************************************
Orbital symmetries:
Occupied (A') (A') (A') (A') (A') (A")
Virtual (A") (A') (A') (A') (A') (A')
1
2
3
4
5
6
1 C
4.152446 0.000000 0.000000 0.000000 0.000000 0.000000
2 C
0.000000 4.152447 0.000000 0.000000 0.000000 0.000000
3 H
0.000000 0.000000 0.923783 0.000000 0.000000 0.000000
4 H
0.000000 0.000000 0.000000 0.923771 0.000000 0.000000
5 H
0.000000 0.000000 0.000000 0.000000 0.923780 0.000000
6 H
0.000000 0.000000 0.000000 0.000000 0.000000 0.923774
1
1 C -0.152446
2 C -0.152447
3 H
0.076217
4
5
6
Sum of
Atomic
H
0.076229
H
0.076220
H
0.076226
Mulliken charges= 0.00000
charges with hydrogens summed into heavy atoms:
1
1 C
0.000001
2 C -0.000001
3 H
0.000000
4 H
0.000000
5 H
0.000000
6 H
0.000000
1|1|UNPC-UNK|FOpt|RPM3|ZDO|C2H4|PCUSER|14-May-2013|0||# OPT RPM3 GEOM=
CONNECTIVITY||Title Card Required||0,1|C,-0.0002115278,-0.6608097168,0
.|C,0.0002061639,0.6608078026,0.|H,0.9089737143,-1.2551611149,0.|H,-0.
9097017311,-1.2546759643,0.|H,-0.9089563822,1.2551927114,0.|H,0.909716
5823,1.2546558529,0.||Version=IA32W-G03RevC.01|State=1-A'|HF=0.026456|
RMSD=0.000e+000|RMSF=2.194e-004|Dipole=0.0000005,0.0000009,0.|PG=CS [S
G(C2H4)]||@
WE HAVE SEEN THAT MAN ON THE AVERAGE DOES NOT LIVE ABOVE
TWO-AND-TWENTY YEARS. DURING THESE TWO AND TWENTY
YEARS HE IS LIABLE TO TWO AND TWENTY THOUSAND EVILS,
MANY OF WHICH ARE INCURABLE. YET EVEN IN THIS DREADFUL STATE
MEN STILL STRUT AND POSE ON THE STAGE OF LIFE.
THEY MAKE LOVE AT THE RISK OF DESTRUCTION,
INTRIGUE, CARRY ON WAR, AND FORM PROJECTS, JUST AS IF THEY
WERE TO LIVE IN LUXURY AND HAPPINESS FOR A THOUSAND
AGES.
-- VOLTAIRE
11 Int=
0 D2E=
0 Chk=
4 Scr=
1
Normal termination of Gaussian 03 at Tue May 14 18:02:20 2013.
skabab bhagaggihdcjbsahacygdrsdxg cnxbcavchabcjabjcbackvahjcvahcvacyadcvicbsdh b
sj smc
well i lost my yugiho poc ytd thnx to guys
mhfmfhmhfmf
i backed it up but
gn
ennwsmwym
me
ym
i backed it up but kcnocuwbvuwbvwbns cxnsvjbvw
vwvkwnvlbtntnhmh
mh
mhfmfhmhfmf
i backed it up but
gn
ennwsmwym
me
ym
eymemekymngbggdn
i backed it up but
well u guys do a great job to start off:)
i backed it up but since ive used ur
yugi_pc program in the game for some
reason it had some bug with my game
makeing it crash alot so i fool around
with it and it stop so plz put this in the
yugiho power of chaos yugi the destiny
just in case some one ele is haveing a
a
gadbsdbsdbs
bsbsdbsdb
sdbsdbsdbgdnbgdnb
dgnbgd ndgnfdbfsdb
sbsbsbsfbsfb
problem from the yugi_pc.exe
Yu-Gi-Oh! PoC - Yugi The Destiny v2.0
[ENGLISH/GERMAN/SPANISH] No-CD/Fixed EXE
was give me the problem but this one im
sending doesnt do it but GCW one does
open the game it does that but it just
messes up playing the game
ps this problem happens in game when
useing atk and def crads to boost ur crads
atk and def for some reason the
yugi_pc.exe would be causeing the problem
well i fount this .exe that doesnt do it
so i thouhgt give it to you and for some
reason it was named yugo u can re-name it
Hope This helps you out and other GCW ppl
any question email me
I LOVE GCW
MatT42o

Advbv

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uyvftfvuvgWQCHJFNVLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW GIVgwrgwrgwrdvavadvuyvftfvu

VLKFNHIOA VJVISBFJBUWCBVIadvHAG IVW UBHVIRAFBAHR

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Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2004, Gaussian, Inc.

This software is provided under written license and may be

trademark of Gaussian, Inc.

Population analysis using the SCF density.

RFO step: Lambda= 6.58196514D-04.

It= 2 PL= 0.450D-01 DiagD=T ESCF=

2.05089 0.00040 0.00033 0.00143 0.00176 2.05265

Standard basis: VSTO-3G (5D, 7F)

MEN STILL STRUT AND POSE ON THE STAGE OF LIFE.

Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2004, Gaussian, Inc.

--------------------------------------------------------------Cite this work as:

Distance matrix (angstroms):

2.04943 0.00097 0.00194 -0.00041 0.00153 2.05096

Rotational constants (GHZ):

0.00000 0.00000 0.00000 0.00000 0.00000

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