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	hartrees
Energy at 0K	-996.573125
Energy at 298.15K	-996.575251
HF Energy	-995.892006
Nuclear repulsion energy	184.786603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3270	3097	2.80
2	A₁	1657	1569	29.66
3	A₁	1247	1181	0.08
4	A₁	748	708	19.29
5	A₁	174	165	0.19
6	A₂	890	843	0.00
7	A₂	414	392	0.00
8	B₁	716	679	77.48
9	B₂	3249	3077	14.20
10	B₂	1354	1283	20.93
11	B₂	898	851	85.16
12	B₂	588	556	3.14

Atom	y (Å)	z (Å)
C1	0.668	0.956
C2	-0.668	0.956
H3	1.213	1.892
H4	-1.213	1.892
Cl5	1.652	-0.449
Cl6	-1.652	-0.449

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3363	1.0827	2.1012	1.7154	2.7127
C2	1.3363		2.1012	1.0827	2.7127	1.7154
H3	1.0827	2.1012		2.4267	2.3812	3.6999
H4	2.1012	1.0827	2.4267		3.6999	2.3812
Cl5	1.7154	2.7127	2.3812	3.6999		3.3045
Cl6	2.7127	1.7154	3.6999	2.3812	3.3045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.235	C1	C2	Cl6	125.008
C2	C1	H3	120.235	C2	C1	Cl5	125.008
H3	C1	Cl5	114.757	H4	C2	Cl6	114.757

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

using model chemistry: MP2=FULL/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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