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	hartrees
Energy at 0K	-993.102748
Energy at 298.15K	-993.104738
Nuclear repulsion energy	182.005532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	3142	1.57
2	A₁	1585	1575	33.52
3	A₁	1224	1216	0.02
4	A₁	652	648	22.57
5	A₁	165	164	0.17
6	A₂	885	879	0.00
7	A₂	406	403	0.00
8	B₁	702	697	74.31
9	B₂	3139	3118	11.07
10	B₂	1320	1311	19.10
11	B₂	797	792	78.45
12	B₂	553	549	10.15

Atom	y (Å)	z (Å)
C1	0.670	0.983
C2	-0.670	0.983
H3	1.233	1.915
H4	-1.233	1.915
Cl5	1.671	-0.459
Cl6	-1.671	-0.459

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3390	1.0891	2.1186	1.7561	2.7495
C2	1.3390		2.1186	1.0891	2.7495	1.7561
H3	1.0891	2.1186		2.4661	2.4144	3.7514
H4	2.1186	1.0891	2.4661		3.7514	2.4144
Cl5	1.7561	2.7495	2.4144	3.7514		3.3427
Cl6	2.7495	1.7561	3.7514	2.4144	3.3427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.160	C1	C2	Cl6	124.784
C2	C1	H3	121.160	C2	C1	Cl5	124.784
H3	C1	Cl5	114.055	H4	C2	Cl6	114.055

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

using model chemistry: BLYP/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
1	C	-0.283
2	C	-0.283
3	H	0.237
4	H	0.237
5	Cl	0.045
6	Cl	0.045

	x	y	z	Total
	0.000	0.000	1.991	1.991
CHELPG
AIM
ESP

<r²>	152.033
(<r²>)^1/2	12.330