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	hartrees
Energy at 0K	-996.377590
Energy at 298.15K	-996.379734
HF Energy	-995.829443
Nuclear repulsion energy	184.342131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3305	3102	2.22
2	A₁	1722	1616	26.30
3	A₁	1270	1192	0.03
4	A₁	748	702	20.82
5	A₁	174	163	0.32
6	A₂	922	865	0.00
7	A₂	423	397	0.00
8	B₁	739	694	59.26
9	B₂	3284	3083	11.91
10	B₂	1382	1297	23.75
11	B₂	904	849	67.74
12	B₂	591	554	4.47

Atom	y (Å)	z (Å)
C1	0.666	0.959
C2	-0.666	0.959
H3	1.214	1.892
H4	-1.214	1.892
Cl5	1.658	-0.450
Cl6	-1.658	-0.450

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3312	1.0825	2.0986	1.7229	2.7169
C2	1.3312		2.0986	1.0825	2.7169	1.7229
H3	1.0825	2.0986		2.4281	2.3835	3.7056
H4	2.0986	1.0825	2.4281		3.7056	2.3835
Cl5	1.7229	2.7169	2.3835	3.7056		3.3154
Cl6	2.7169	1.7229	3.7056	2.3835	3.3154

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.443	C1	C2	Cl6	125.157
C2	C1	H3	120.443	C2	C1	Cl5	125.157
H3	C1	Cl5	114.400	H4	C2	Cl6	114.400

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

using model chemistry: MP3/6-31G*

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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