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	hartrees
Energy at 0K	-996.379438
Energy at 298.15K	-996.381573
HF Energy	-995.829312
Nuclear repulsion energy	184.165383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3278	3103	3.24
2	A₁	1716	1624	24.73
3	A₁	1265	1198	0.05
4	A₁	745	705	19.94
5	A₁	173	164	0.32
6	A₂	922	873	0.00
7	A₂	421	398	0.00
8	B₁	736	697	56.72
9	B₂	3257	3083	10.14
10	B₂	1378	1304	23.94
11	B₂	903	855	62.55
12	B₂	588	557	4.11

Atom	y (Å)	z (Å)
C1	0.668	0.974
C2	-0.668	0.974
H3	1.210	1.907
H4	-1.210	1.907
Cl5	1.637	-0.456
Cl6	-1.637	-0.456

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3354	1.0795	2.0967	1.7273	2.7121
C2	1.3354		2.0967	1.0795	2.7121	1.7273
H3	1.0795	2.0967		2.4193	2.4017	3.6998
H4	2.0967	1.0795	2.4193		3.6998	2.4017
Cl5	1.7273	2.7121	2.4017	3.6998		3.2737
Cl6	2.7121	1.7273	3.6998	2.4017	3.2737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.134	C1	C2	Cl6	124.130
C2	C1	H3	120.134	C2	C1	Cl5	124.130
H3	C1	Cl5	115.736	H4	C2	Cl6	115.736

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

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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