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	hartrees
Energy at 0K	-997.718130
Energy at 298.15K	-997.720083
Nuclear repulsion energy	178.897214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3276	3149	5.11
2	A₁	1657	1592	30.85
3	A₁	1211	1165	0.03
4	A₁	643	618	22.68
5	A₁	156	150	0.34
6	A₂	902	867	0.00
7	A₂	394	379	0.00
8	B₁	715	688	99.51
9	B₂	3246	3120	12.70
10	B₂	1305	1254	20.76
11	B₂	796	765	76.54
12	B₂	537	516	10.69

Atom	y (Å)	z (Å)
C1	0.669	1.004
C2	-0.669	1.004
H3	1.242	1.924
H4	-1.242	1.924
Cl5	1.705	-0.468
Cl6	-1.705	-0.468

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3385	1.0839	2.1210	1.7996	2.7934
C2	1.3385		2.1210	1.0839	2.7934	1.7996
H3	1.0839	2.1210		2.4832	2.4366	3.7955
H4	2.1210	1.0839	2.4832		3.7955	2.4366
Cl5	1.7996	2.7934	2.4366	3.7955		3.4104
Cl6	2.7934	1.7996	3.7955	2.4366	3.4104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.873	C1	C2	Cl6	125.145
C2	C1	H3	121.873	C2	C1	Cl5	125.145
H3	C1	Cl5	112.982	H4	C2	Cl6	112.982

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

using model chemistry: B3LYP/SDD

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	-0.249
2	C	-0.249
3	H	0.262
4	H	0.262
5	Cl	-0.014
6	Cl	-0.014

	x	y	z	Total
	0.000	0.000	2.509	2.509
CHELPG
AIM
ESP

<r²>	156.973
(<r²>)^1/2	12.529