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	hartrees
Energy at 0K	-996.303510
Energy at 298.15K	-996.305723
HF Energy	-995.829902
Nuclear repulsion energy	184.923626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3360	3104	2.26
2	A₁	1778	1642	27.65
3	A₁	1297	1198	0.04
4	A₁	763	705	22.17
5	A₁	178	164	0.36
6	A₂	980	906	0.00
7	A₂	441	407	0.00
8	B₁	772	713	59.54
9	B₂	3338	3083	12.64
10	B₂	1411	1303	27.42
11	B₂	922	852	73.92
12	B₂	604	558	4.80

Atom	y (Å)	z (Å)
C1	0.661	0.954
C2	-0.661	0.954
H3	1.205	1.884
H4	-1.205	1.884
Cl5	1.655	-0.447
Cl6	-1.655	-0.447

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3222	1.0782	2.0857	1.7179	2.7071
C2	1.3222		2.0857	1.0782	2.7071	1.7179
H3	1.0782	2.0857		2.4108	2.3746	3.6906
H4	2.0857	1.0782	2.4108		3.6906	2.3746
Cl5	1.7179	2.7071	2.3746	3.6906		3.3107
Cl6	2.7071	1.7179	3.6906	2.3746	3.3107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.321	C1	C2	Cl6	125.363
C2	C1	H3	120.321	C2	C1	Cl5	125.363
H3	C1	Cl5	114.315	H4	C2	Cl6	114.315

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

using model chemistry: CID/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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