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	hartrees
Energy at 0K	-992.942398
Energy at 298.15K	-992.944383
Nuclear repulsion energy	180.108541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3278	3163	0.22
2	A₁	1684	1625	24.20
3	A₁	1216	1173	0.01
4	A₁	631	608	25.00
5	A₁	164	159	0.31
6	A₂	941	908	0.00
7	A₂	401	387	0.00
8	B₁	736	710	88.57
9	B₂	3253	3139	17.31
10	B₂	1315	1269	28.60
11	B₂	776	748	71.13
12	B₂	526	508	11.80

Atom	y (Å)	z (Å)
C1	0.659	1.031
C2	-0.659	1.031
H3	1.252	1.933
H4	-1.252	1.933
Cl5	1.665	-0.478
Cl6	-1.665	-0.478

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3177	1.0797	2.1130	1.8131	2.7703
C2	1.3177		2.1130	1.0797	2.7703	1.8131
H3	1.0797	2.1130		2.5039	2.4457	3.7839
H4	2.1130	1.0797	2.5039		3.7839	2.4457
Cl5	1.8131	2.7703	2.4457	3.7839		3.3294
Cl6	2.7703	1.8131	3.7839	2.4457	3.3294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.323	C1	C2	Cl6	123.695
C2	C1	H3	123.323	C2	C1	Cl5	123.695
H3	C1	Cl5	112.982	H4	C2	Cl6	112.982

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

using model chemistry: B3LYP/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	ESP
1	C	-0.374	-0.133
2	C	-0.374	-0.133
3	H	0.272	0.201
4	H	0.272	0.201
5	Cl	0.102	-0.068
6	Cl	0.102	-0.068

<r²>	153.379
(<r²>)^1/2	12.385