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	hartrees
Energy at 0K	-997.863568
Energy at 298.15K	-997.865594
HF Energy	-997.863568
Nuclear repulsion energy	183.950628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3121	2.45
2	A₁	1595	1571	40.89
3	A₁	1185	1167	0.00
4	A₁	689	678	19.58
5	A₁	164	162	0.22
6	A₂	858	844	0.00
7	A₂	411	404	0.00
8	B₁	682	672	53.46
9	B₂	3149	3100	12.08
10	B₂	1285	1266	27.14
11	B₂	825	812	84.85
12	B₂	562	554	8.31

Atom	y (Å)	z (Å)
C1	0.667	0.958
C2	-0.667	0.958
H3	1.215	1.893
H4	-1.215	1.893
Cl5	1.664	-0.450
Cl6	-1.664	-0.450

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3330	1.0836	2.1011	1.7255	2.7227
C2	1.3330		2.1011	1.0836	2.7227	1.7255
H3	1.0836	2.1011		2.4308	2.3849	3.7117
H4	2.1011	1.0836	2.4308		3.7117	2.3849
Cl5	1.7255	2.7227	2.3849	3.7117		3.3278
Cl6	2.7227	1.7255	3.7117	2.3849	3.3278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.432	C1	C2	Cl6	125.311
C2	C1	H3	120.432	C2	C1	Cl5	125.311
H3	C1	Cl5	114.257	H4	C2	Cl6	114.257

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

using model chemistry: B97D3/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	-0.178
2	C	-0.178
3	H	0.310
4	H	0.310
5	Cl	-0.132
6	Cl	-0.132

	x	y	z	Total
	0.000	0.000	1.794	1.794
CHELPG
AIM
ESP

<r²>	150.099
(<r²>)^1/2	12.251