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	hartrees
Energy at 0K	-997.928844
Energy at 298.15K	-997.930981
Nuclear repulsion energy	186.233681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3252	3112	1.32
2	A₁	1681	1609	36.38
3	A₁	1207	1155	0.00
4	A₁	740	709	20.64
5	A₁	170	162	0.29
6	A₂	920	880	0.00
7	A₂	428	410	0.00
8	B₁	719	688	55.63
9	B₂	3230	3091	14.19
10	B₂	1318	1261	24.46
11	B₂	875	837	79.40
12	B₂	583	558	5.35

Atom	y (Å)	z (Å)
C1	0.660	0.958
C2	-0.660	0.958
H3	1.211	1.885
H4	-1.211	1.885
Cl5	1.631	-0.449
Cl6	-1.631	-0.449

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3208	1.0775	2.0881	1.7096	2.6890
C2	1.3208		2.0881	1.0775	2.6890	1.7096
H3	1.0775	2.0881		2.4222	2.3711	3.6773
H4	2.0881	1.0775	2.4222		3.6773	2.3711
Cl5	1.7096	2.6890	2.3711	3.6773		3.2617
Cl6	2.6890	1.7096	3.6773	2.3711	3.2617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.737	C1	C2	Cl6	124.585
C2	C1	H3	120.737	C2	C1	Cl5	124.585
H3	C1	Cl5	114.679	H4	C2	Cl6	114.679

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

using model chemistry: B1B95/cc-pVTZ

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	-0.114
2	C	-0.114
3	H	0.172
4	H	0.172
5	Cl	-0.059
6	Cl	-0.059

	x	y	z	Total
	0.000	0.000	1.877	1.877
CHELPG
AIM
ESP

<r²>	145.961
(<r²>)^1/2	12.081