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	hartrees
Energy at 0K	-996.305801
Energy at 298.15K	-996.308010
HF Energy	-995.829881
Nuclear repulsion energy	184.846192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3357	3108	2.42
2	A₁	1772	1641	27.86
3	A₁	1295	1199	0.04
4	A₁	762	705	22.25
5	A₁	177	164	0.35
6	A₂	978	906	0.00
7	A₂	440	408	0.00
8	B₁	771	714	59.47
9	B₂	3335	3087	12.35
10	B₂	1409	1304	27.87
11	B₂	920	851	74.91
12	B₂	603	558	4.88

Atom	y (Å)	z (Å)
C1	0.662	0.954
C2	-0.662	0.954
H3	1.206	1.885
H4	-1.206	1.885
Cl5	1.656	-0.448
Cl6	-1.656	-0.448

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3230	1.0783	2.0865	1.7186	2.7084
C2	1.3230		2.0865	1.0783	2.7084	1.7186
H3	1.0783	2.0865		2.4118	2.3754	3.6920
H4	2.0865	1.0783	2.4118		3.6920	2.3754
Cl5	1.7186	2.7084	2.3754	3.6920		3.3121
Cl6	2.7084	1.7186	3.6920	2.3754	3.3121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.323	C1	C2	Cl6	125.359
C2	C1	H3	120.323	C2	C1	Cl5	125.359
H3	C1	Cl5	114.317	H4	C2	Cl6	114.317

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

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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