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	hartrees
Energy at 0K	-997.824582
Energy at 298.15K	-997.826701
Nuclear repulsion energy	185.282642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3280	3114	1.85
2	A₁	1706	1620	36.22
3	A₁	1235	1172	0.00
4	A₁	744	706	23.78
5	A₁	169	160	0.27
6	A₂	913	867	0.00
7	A₂	427	406	0.00
8	B₁	725	688	60.95
9	B₂	3260	3095	13.22
10	B₂	1341	1273	24.79
11	B₂	887	842	86.76
12	B₂	588	558	4.68

Atom	y (Å)	z (Å)
C1	0.664	0.957
C2	-0.664	0.957
H3	1.213	1.889
H4	-1.213	1.889
Cl5	1.645	-0.449
Cl6	-1.645	-0.449

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3275	1.0818	2.0954	1.7145	2.7033
C2	1.3275		2.0954	1.0818	2.7033	1.7145
H3	1.0818	2.0954		2.4259	2.3773	3.6925
H4	2.0954	1.0818	2.4259		3.6925	2.3773
Cl5	1.7145	2.7033	2.3773	3.6925		3.2908
Cl6	2.7033	1.7145	3.6925	2.3773	3.2908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.508	C1	C2	Cl6	124.929
C2	C1	H3	120.508	C2	C1	Cl5	124.929
H3	C1	Cl5	114.563	H4	C2	Cl6	114.563

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

using model chemistry: B1B95/6-31G*

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
1	C	-0.256
2	C	-0.256
3	H	0.224
4	H	0.224
5	Cl	0.032
6	Cl	0.032

	x	y	z	Total
	0.000	0.000	2.027	2.027
CHELPG
AIM
ESP

<r²>	147.506
(<r²>)^1/2	12.145