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	hartrees
Energy at 0K	-997.774644
Energy at 298.15K	-997.776771
Nuclear repulsion energy	184.721603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3274	3115	1.19
2	A₁	1699	1617	36.68
3	A₁	1234	1174	0.00
4	A₁	740	704	23.25
5	A₁	168	160	0.26
6	A₂	915	870	0.00
7	A₂	428	407	0.00
8	B₁	725	690	61.96
9	B₂	3253	3096	15.07
10	B₂	1336	1271	24.56
11	B₂	884	841	89.22
12	B₂	588	559	4.91

Atom	y (Å)	z (Å)
C1	0.664	0.954
C2	-0.664	0.954
H3	1.210	1.888
H4	-1.210	1.888
Cl5	1.657	-0.448
Cl6	-1.657	-0.448

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3287	1.0823	2.0944	1.7172	2.7113
C2	1.3287		2.0944	1.0823	2.7113	1.7172
H3	1.0823	2.0944		2.4198	2.3785	3.6980
H4	2.0944	1.0823	2.4198		3.6980	2.3785
Cl5	1.7172	2.7113	2.3785	3.6980		3.3135
Cl6	2.7113	1.7172	3.6980	2.3785	3.3135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.270	C1	C2	Cl6	125.304
C2	C1	H3	120.270	C2	C1	Cl5	125.304
H3	C1	Cl5	114.426	H4	C2	Cl6	114.426

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

using model chemistry: mPW1PW91/6-31G**

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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Number	Element	Mulliken
1	C	-0.228
2	C	-0.228
3	H	0.194
4	H	0.194
5	Cl	0.034
6	Cl	0.034

	x	y	z	Total
	0.000	0.000	2.037	2.037
CHELPG
AIM
ESP

<r²>	148.718
(<r²>)^1/2	12.195