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	hartrees
Energy at 0K	-997.823412
Energy at 298.15K	-997.825544
HF Energy	-997.823412
Nuclear repulsion energy	185.136400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3254	3113	0.54
2	A₁	1688	1615	35.80
3	A₁	1228	1175	0.02
4	A₁	726	694	19.23
5	A₁	168	161	0.30
6	A₂	930	890	0.00
7	A₂	429	410	0.00
8	B₁	721	690	55.33
9	B₂	3232	3092	15.85
10	B₂	1333	1275	26.49
11	B₂	863	826	80.12
12	B₂	579	554	6.52

Atom	y (Å)	z (Å)
C1	0.662	0.978
C2	-0.662	0.978
H3	1.201	1.904
H4	-1.201	1.904
Cl5	1.616	-0.457
Cl6	-1.616	-0.457

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3238	1.0713	2.0803	1.7229	2.6919
C2	1.3238		2.0803	1.0713	2.6919	1.7229
H3	1.0713	2.0803		2.4021	2.3968	3.6751
H4	2.0803	1.0713	2.4021		3.6751	2.3968
Cl5	1.7229	2.6919	2.3968	3.6751		3.2314
Cl6	2.6919	1.7229	3.6751	2.3968	3.2314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.215	C1	C2	Cl6	123.613
C2	C1	H3	120.215	C2	C1	Cl5	123.613
H3	C1	Cl5	116.172	H4	C2	Cl6	116.172

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

using model chemistry: wB97X-D/aug-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	-0.263
2	C	-0.263
3	H	0.405
4	H	0.405
5	Cl	-0.142
6	Cl	-0.142

	x	y	z	Total
	0.000	0.000	1.936	1.936
CHELPG
AIM
ESP

<r²>	148.028
(<r²>)^1/2	12.167