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	hartrees
Energy at 0K	-997.778735
Energy at 298.15K	-997.780859
Nuclear repulsion energy	184.645236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3272	3114	0.76
2	A₁	1687	1605	42.69
3	A₁	1232	1172	0.10
4	A₁	738	702	22.35
5	A₁	168	159	0.24
6	A₂	915	871	0.00
7	A₂	427	407	0.00
8	B₁	723	688	72.54
9	B₂	3252	3095	16.01
10	B₂	1333	1269	26.90
11	B₂	881	839	95.21
12	B₂	587	559	5.18

Atom	y (Å)	z (Å)
C1	0.665	0.954
C2	-0.665	0.954
H3	1.211	1.889
H4	-1.211	1.889
Cl5	1.657	-0.448
Cl6	-1.657	-0.448

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3305	1.0826	2.0964	1.7175	2.7129
C2	1.3305		2.0964	1.0826	2.7129	1.7175
H3	1.0826	2.0964		2.4223	2.3790	3.6998
H4	2.0964	1.0826	2.4223		3.6998	2.3790
Cl5	1.7175	2.7129	2.3790	3.6998		3.3146
Cl6	2.7129	1.7175	3.6998	2.3790	3.3146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.283	C1	C2	Cl6	125.283
C2	C1	H3	120.283	C2	C1	Cl5	125.283
H3	C1	Cl5	114.434	H4	C2	Cl6	114.434

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.293
2	C	-0.293
3	H	0.215
4	H	0.215
5	Cl	0.078
6	Cl	0.078

	x	y	z	Total
	0.000	0.000	2.001	2.001
CHELPG
AIM
ESP

<r²>	149.166
(<r²>)^1/2	12.213