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	hartrees
Energy at 0K	-997.876325
Energy at 298.15K	-997.878428
Nuclear repulsion energy	184.647182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3109	0.50
2	A₁	1645	1590	36.45
3	A₁	1218	1178	0.00
4	A₁	711	687	18.37
5	A₁	168	163	0.24
6	A₂	918	887	0.00
7	A₂	424	410	0.00
8	B₁	716	693	54.84
9	B₂	3193	3088	15.07
10	B₂	1320	1276	26.59
11	B₂	853	825	81.69
12	B₂	576	557	6.98

Atom	y (Å)	z (Å)
C1	0.662	0.956
C2	-0.662	0.956
H3	1.210	1.886
H4	-1.210	1.886
Cl5	1.657	-0.448
Cl6	-1.657	-0.448

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3247	1.0796	2.0905	1.7208	2.7113
C2	1.3247		2.0905	1.0796	2.7113	1.7208
H3	1.0796	2.0905		2.4191	2.3773	3.6971
H4	2.0905	1.0796	2.4191		3.6971	2.3773
Cl5	1.7208	2.7113	2.3773	3.6971		3.3142
Cl6	2.7113	1.7208	3.6971	2.3773	3.3142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.455	C1	C2	Cl6	125.315
C2	C1	H3	120.455	C2	C1	Cl5	125.315
H3	C1	Cl5	114.230	H4	C2	Cl6	114.230

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.024
2	C	-0.024
3	H	0.164
4	H	0.164
5	Cl	-0.139
6	Cl	-0.139

	x	y	z	Total
	0.000	0.000	1.833	1.833
CHELPG
AIM
ESP

<r²>	149.294
(<r²>)^1/2	12.219