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	hartrees
Energy at 0K	-996.305609
Energy at 298.15K	-996.307565
HF Energy	-995.830259
Nuclear repulsion energy	175.827082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3357	3108	0.00
2	A_g	1768	1637	0.00
3	A_g	1381	1279	0.00
4	A_g	914	846	0.00
5	A_g	370	343	0.00
6	A_u	999	925	68.29
7	A_u	227	210	0.77
8	B_g	847	784	0.00
9	B_u	3351	3103	14.17
10	B_u	1309	1212	20.30
11	B_u	883	817	114.58
12	B_u	252	233	4.22

Atom	x (Å)	y (Å)
C1	0.000	0.661
C2	0.000	-0.661
H3	0.897	1.259
H4	-0.897	-1.259
Cl5	-1.470	1.567
Cl6	1.470	-1.567

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3213	1.0780	2.1187	1.7266	2.6687
C2	1.3213		2.1187	1.0780	2.6687	1.7266
H3	1.0780	2.1187		3.0913	2.3864	2.8833
H4	2.1187	1.0780	3.0913		2.8833	2.3864
Cl5	1.7266	2.6687	2.3864	2.8833		4.2965
Cl6	2.6687	1.7266	2.8833	2.3864	4.2965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.707	C1	C2	Cl6	121.660
C2	C1	H3	123.707	C2	C1	Cl5	121.660
H3	C1	Cl5	114.633	H4	C2	Cl6	114.633

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

using model chemistry: CISD/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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