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	hartrees
Energy at 0K	-997.273979
Energy at 298.15K	-997.275985
HF Energy	-997.273979
Nuclear repulsion energy	183.150697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3173	3121	2.40
2	A₁	1621	1595	39.73
3	A₁	1195	1175	0.01
4	A₁	709	697	22.21
5	A₁	161	159	0.19
6	A₂	842	828	0.00
7	A₂	409	402	0.00
8	B₁	685	674	61.15
9	B₂	3153	3101	12.03
10	B₂	1291	1270	23.43
11	B₂	848	834	89.20
12	B₂	567	558	5.03

Atom	y (Å)	z (Å)
C1	0.671	0.960
C2	-0.671	0.960
H3	1.223	1.903
H4	-1.223	1.903
Cl5	1.672	-0.451
Cl6	-1.672	-0.451

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3423	1.0927	2.1157	1.7298	2.7353
C2	1.3423		2.1157	1.0927	2.7353	1.7298
H3	1.0927	2.1157		2.4452	2.3966	3.7312
H4	2.1157	1.0927	2.4452		3.7312	2.3966
Cl5	1.7298	2.7353	2.3966	3.7312		3.3445
Cl6	2.7353	1.7298	3.7312	2.3966	3.3445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.310	C1	C2	Cl6	125.360
C2	C1	H3	120.310	C2	C1	Cl5	125.360
H3	C1	Cl5	114.330	H4	C2	Cl6	114.330

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

using model chemistry: PBEPBEultrafine/6-31G*

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	-0.250
2	C	-0.250
3	H	0.211
4	H	0.211
5	Cl	0.039
6	Cl	0.039

	x	y	z	Total
	0.000	0.000	1.918	1.918
CHELPG
AIM
ESP

	x	y	z
x	2.765	0.000	0.000
y	0.000	8.764	-0.005
z	0.000	-0.005	6.350

<r²>	151.008
(<r²>)^1/2	12.289