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	hartrees
Energy at 0K	-996.379210
Energy at 298.15K	-996.381096
HF Energy	-995.829656
Nuclear repulsion energy	175.120853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3277	3102	0.00
2	A_g	1710	1619	0.00
3	A_g	1347	1275	0.00
4	A_g	895	847	0.00
5	A_g	360	341	0.00
6	A_u	953	902	64.67
7	A_u	219	207	0.71
8	B_g	795	753	0.00
9	B_u	3272	3097	12.10
10	B_u	1281	1212	18.79
11	B_u	866	820	96.54
12	B_u	246	233	4.06

Atom	x (Å)	y (Å)
C1	0.000	0.666
C2	0.000	-0.666
H3	0.903	1.267
H4	-0.903	-1.267
Cl5	-1.475	1.572
Cl6	1.475	-1.572

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3310	1.0845	2.1326	1.7316	2.6802
C2	1.3310		2.1326	1.0845	2.6802	1.7316
H3	1.0845	2.1326		3.1107	2.3975	2.8959
H4	2.1326	1.0845	3.1107		2.8959	2.3975
Cl5	1.7316	2.6802	2.3975	2.8959		4.3119
Cl6	2.6802	1.7316	2.8959	2.3975	4.3119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.662	C1	C2	Cl6	121.569
C2	C1	H3	123.662	C2	C1	Cl5	121.569
H3	C1	Cl5	114.770	H4	C2	Cl6	114.770

All results from a given calculation for CHClCHCl (Ethene, 1,2-dichloro-, (E)-)

using model chemistry: CCD/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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