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	hartrees
Energy at 0K	-42.270102
Energy at 298.15K	-42.272099
Nuclear repulsion energy	51.909572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3218	3136	4.39
2	A₁	1625	1584	35.16
3	A₁	1204	1173	0.00
4	A₁	656	639	24.03
5	A₁	159	155	0.33
6	A₂	897	874	0.00
7	A₂	395	385	0.00
8	B₁	715	697	100.10
9	B₂	3189	3107	12.65
10	B₂	1296	1263	28.84
11	B₂	804	783	90.04
12	B₂	537	523	8.04

Atom	y (Å)	z (Å)
C1	0.672	0.786
C2	-0.672	0.786
H3	1.247	1.707
H4	-1.247	1.707
Cl5	1.712	-0.693
Cl6	-1.712	-0.693

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3445	1.0851	2.1283	1.8076	2.8053
C2	1.3445		2.1283	1.0851	2.8053	1.8076
H3	1.0851	2.1283		2.4934	2.4441	3.8090
H4	2.1283	1.0851	2.4934		3.8090	2.4441
Cl5	1.8076	2.8053	2.4441	3.8090		3.4231
Cl6	2.8053	1.8076	3.8090	2.4441	3.4231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.964	C1	C2	Cl6	125.099
C2	C1	H3	121.964	C2	C1	Cl5	125.099
H3	C1	Cl5	112.937	H4	C2	Cl6	112.937

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

using model chemistry: B3LYP/CEP-121G

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	-0.256
2	C	-0.256
3	H	0.203
4	H	0.203
5	Cl	0.052
6	Cl	0.052

	x	y	z	Total
	0.000	0.000	2.538	2.538
CHELPG
AIM
ESP

<r²>	87.584
(<r²>)^1/2	9.359