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	hartrees
Energy at 0K	-997.650517
Energy at 298.15K	-997.652618
Nuclear repulsion energy	184.151946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3252	3122	1.04
2	A₁	1669	1602	43.14
3	A₁	1224	1176	0.09
4	A₁	728	699	22.34
5	A₁	166	159	0.23
6	A₂	902	866	0.00
7	A₂	424	407	0.00
8	B₁	715	687	71.44
9	B₂	3232	3103	15.29
10	B₂	1324	1271	26.93
11	B₂	871	837	95.78
12	B₂	582	559	5.51

Atom	y (Å)	z (Å)
C1	0.667	0.955
C2	-0.667	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		1.3331	1.0842	2.0999	1.7214	2.7201
C2	1.3331		2.0999	1.0842	2.7201	1.7214
H3	1.0842	2.0999		2.4260	2.3826	3.7080
H4	2.0999	1.0842	2.4260		3.7080	2.3826
Cl5	1.7214	2.7201	2.3826	3.7080		3.3274
Cl6	2.7201	1.7214	3.7080	2.3826	3.3274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.265	C1	C2	Cl6	125.399
C2	C1	H3	120.265	C2	C1	Cl5	125.399
H3	C1	Cl5	114.336	H4	C2	Cl6	114.336

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

using model chemistry: B3PW91/6-31+G**

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	-0.283
2	C	-0.283
3	H	0.209
4	H	0.209
5	Cl	0.074
6	Cl	0.074

	x	y	z	Total
	0.000	0.000	1.986	1.986
CHELPG
AIM
ESP

<r²>	149.954
(<r²>)^1/2	12.246