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	hartrees
Energy at 0K	-997.817660
Energy at 298.15K	-997.819648
Nuclear repulsion energy	182.469510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3142	3133	2.35
2	A₁	1578	1574	38.65
3	A₁	1180	1176	0.03
4	A₁	667	665	20.04
5	A₁	160	159	0.22
6	A₂	858	855	0.00
7	A₂	407	406	0.00
8	B₁	681	679	53.55
9	B₂	3122	3112	11.19
10	B₂	1279	1275	26.38
11	B₂	807	804	81.05
12	B₂	550	548	9.10

Atom	y (Å)	z (Å)
C1	0.667	0.967
C2	-0.667	0.967
H3	1.220	1.901
H4	-1.220	1.901
Cl5	1.680	-0.453
Cl6	-1.680	-0.453

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3346	1.0855	2.1061	1.7436	2.7429
C2	1.3346		2.1061	1.0855	2.7429	1.7436
H3	1.0855	2.1061		2.4406	2.3980	3.7349
H4	2.1061	1.0855	2.4406		3.7349	2.3980
Cl5	1.7436	2.7429	2.3980	3.7349		3.3595
Cl6	2.7429	1.7436	3.7349	2.3980	3.3595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.628	C1	C2	Cl6	125.499
C2	C1	H3	120.628	C2	C1	Cl5	125.499
H3	C1	Cl5	113.873	H4	C2	Cl6	113.873

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

using model chemistry: BLYP/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	-0.077
2	C	-0.077
3	H	0.137
4	H	0.137
5	Cl	-0.060
6	Cl	-0.060

	x	y	z	Total
	0.000	0.000	1.807	1.807
CHELPG
AIM
ESP

<r²>	152.386
(<r²>)^1/2	12.344