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	hartrees
Energy at 0K	-992.932893
Energy at 298.15K	-992.934943
Nuclear repulsion energy	181.588102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3304	3154	0.66
2	A₁	1709	1631	23.76
3	A₁	1225	1170	0.04
4	A₁	659	629	24.92
5	A₁	168	160	0.31
6	A₂	965	921	0.00
7	A₂	412	393	0.00
8	B₁	753	719	99.81
9	B₂	3278	3129	19.08
10	B₂	1326	1266	24.44
11	B₂	798	762	73.55
12	B₂	545	520	9.46

Atom	y (Å)	z (Å)
C1	0.658	1.023
C2	-0.658	1.023
H3	1.247	1.927
H4	-1.247	1.927
Cl5	1.648	-0.474
Cl6	-1.648	-0.474

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3164	1.0793	2.1090	1.7944	2.7492
C2	1.3164		2.1090	1.0793	2.7492	1.7944
H3	1.0793	2.1090		2.4939	2.4349	3.7612
H4	2.1090	1.0793	2.4939		3.7612	2.4349
Cl5	1.7944	2.7492	2.4349	3.7612		3.2952
Cl6	2.7492	1.7944	3.7612	2.4349	3.2952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.055	C1	C2	Cl6	123.460
C2	C1	H3	123.055	C2	C1	Cl5	123.460
H3	C1	Cl5	113.485	H4	C2	Cl6	113.485

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

using model chemistry: mPW1PW91/3-21G

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	-0.426
2	C	-0.426
3	H	0.301
4	H	0.301
5	Cl	0.125
6	Cl	0.125

	x	y	z	Total
	0.000	0.000	2.643	2.643
CHELPG
AIM
ESP

<r²>	151.030
(<r²>)^1/2	12.289