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	hartrees
Energy at 0K	-996.452586
Energy at 298.15K	-996.454713
HF Energy	-995.895792
Nuclear repulsion energy	184.707784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3271	3108	2.78
2	A₁	1649	1567	31.98
3	A₁	1238	1177	0.02
4	A₁	748	710	19.57
5	A₁	173	165	0.21
6	A₂	889	844	0.00
7	A₂	411	391	0.00
8	B₁	715	679	69.12
9	B₂	3249	3087	14.27
10	B₂	1342	1275	22.93
11	B₂	897	853	84.13
12	B₂	585	556	3.02

Atom	y (Å)	z (Å)
C1	0.669	0.956
C2	-0.669	0.956
H3	1.212	1.893
H4	-1.212	1.893
Cl5	1.653	-0.449
Cl6	-1.653	-0.449

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3380	1.0826	2.1011	1.7155	2.7142
C2	1.3380		2.1011	1.0826	2.7142	1.7155
H3	1.0826	2.1011		2.4234	2.3831	3.7003
H4	2.1011	1.0826	2.4234		3.7003	2.3831
Cl5	1.7155	2.7142	2.3831	3.7003		3.3065
Cl6	2.7142	1.7155	3.7003	2.3831	3.3065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.088	C1	C2	Cl6	125.011
C2	C1	H3	120.088	C2	C1	Cl5	125.011
H3	C1	Cl5	114.901	H4	C2	Cl6	114.901

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

using model chemistry: MP2/6-311G**

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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