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	hartrees
Energy at 0K	-997.643604
Energy at 298.15K	-997.645699
Nuclear repulsion energy	184.197035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3116	2.11
2	A₁	1685	1612	37.07
3	A₁	1236	1183	0.00
4	A₁	730	699	23.13
5	A₁	167	160	0.25
6	A₂	903	864	0.00
7	A₂	423	405	0.00
8	B₁	719	688	63.04
9	B₂	3237	3097	12.59
10	B₂	1338	1280	24.82
11	B₂	875	838	89.46
12	B₂	583	558	5.22

Atom	y (Å)	z (Å)
C1	0.666	0.955
C2	-0.666	0.955
H3	1.213	1.891
H4	-1.213	1.891
Cl5	1.664	-0.448
Cl6	-1.664	-0.448

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3313	1.0846	2.0991	1.7214	2.7189
C2	1.3313		2.0991	1.0846	2.7189	1.7214
H3	1.0846	2.0991		2.4262	2.3819	3.7075
H4	2.0991	1.0846	2.4262		3.7075	2.3819
Cl5	1.7214	2.7189	2.3819	3.7075		3.3270
Cl6	2.7189	1.7214	3.7075	2.3819	3.3270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.316	C1	C2	Cl6	125.429
C2	C1	H3	120.316	C2	C1	Cl5	125.429
H3	C1	Cl5	114.255	H4	C2	Cl6	114.255

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.263	-0.150
2	C	-0.263	-0.150
3	H	0.229	0.185
4	H	0.229	0.185
5	Cl	0.034	-0.035
6	Cl	0.034	-0.035

<r²>	149.563
(<r²>)^1/2	12.230