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	hartrees
Energy at 0K	-996.399625
Energy at 298.15K	-996.401747
HF Energy	-995.835695
Nuclear repulsion energy	184.830529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3319	3117	1.94
2	A₁	1667	1566	35.88
3	A₁	1258	1182	0.01
4	A₁	749	704	19.16
5	A₁	171	161	0.22
6	A₂	899	844	0.00
7	A₂	404	380	0.00
8	B₁	726	682	68.34
9	B₂	3298	3098	14.30
10	B₂	1369	1286	27.51
11	B₂	903	848	76.86
12	B₂	590	554	4.06

Atom	y (Å)	z (Å)
C1	0.669	0.956
C2	-0.669	0.956
H3	1.209	1.890
H4	-1.209	1.890
Cl5	1.653	-0.448
Cl6	-1.653	-0.448

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3376	1.0788	2.0973	1.7145	2.7130
C2	1.3376		2.0973	1.0788	2.7130	1.7145
H3	1.0788	2.0973		2.4182	2.3797	3.6953
H4	2.0973	1.0788	2.4182		3.6953	2.3797
Cl5	1.7145	2.7130	2.3797	3.6953		3.3050
Cl6	2.7130	1.7145	3.6953	2.3797	3.3050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.056	C1	C2	Cl6	125.011
C2	C1	H3	120.056	C2	C1	Cl5	125.011
H3	C1	Cl5	114.933	H4	C2	Cl6	114.933

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

using model chemistry: MP2=FULL/6-31+G**

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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