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	hartrees
Energy at 0K	-997.438738
Energy at 298.15K	-997.433436
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3248	3119	2.73
2	A₁	1673	1606	36.64
3	A₁	1235	1186	0.03
4	A₁	710	682	23.83
5	A₁	167	161	0.26
6	A₂	899	863	0.00
7	A₂	420	403	0.00
8	B₁	716	687	56.54
9	B₂	3228	3100	11.91
10	B₂	1337	1284	27.89
11	B₂	857	823	86.94
12	B₂	574	552	6.78

Atom	y (Å)	z (Å)
C1	0.666	0.960
C2	-0.666	0.960
H3	1.215	1.895
H4	-1.215	1.895
Cl5	1.672	-0.450
Cl6	-1.672	-0.450

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3315	1.0840	2.0999	1.7329	2.7305
C2	1.3315		2.0999	1.0840	2.7305	1.7329
H3	1.0840	2.0999		2.4292	2.3898	3.7194
H4	2.0999	1.0840	2.4292		3.7194	2.3898
Cl5	1.7329	2.7305	2.3898	3.7194		3.3440
Cl6	2.7305	1.7329	3.7194	2.3898	3.3440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.418	C1	C2	Cl6	125.496
C2	C1	H3	120.418	C2	C1	Cl5	125.496
H3	C1	Cl5	114.085	H4	C2	Cl6	114.085

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

using model chemistry: G3B3

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	CHELPG	AIM	ESP
1	C	-0.221	-0.077	0.072	-0.134
2	C	-0.221	-0.077	0.072	-0.134
3	H	0.203	0.143	0.106	0.176
4	H	0.203	0.143	0.106	0.176
5	Cl	0.018	-0.066	-0.179	-0.043
6	Cl	0.018	-0.066	-0.179	-0.043

	z	Total
	2.047	2.047
CHELPG	2.171	2.171
AIM	-0.514	0.514
ESP	2.166	2.166

<r²>	150.873
(<r²>)^1/2	12.283