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	hartrees
Energy at 0K	-997.845272
Energy at 298.15K	-997.847402
Nuclear repulsion energy	184.867395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3255	3114	1.55
2	A₁	1683	1610	38.64
3	A₁	1225	1172	0.01
4	A₁	732	701	23.01
5	A₁	170	162	0.23
6	A₂	916	876	0.00
7	A₂	426	407	0.00
8	B₁	720	688	76.61
9	B₂	3234	3094	15.35
10	B₂	1326	1268	23.37
11	B₂	873	836	104.42
12	B₂	584	559	4.93

Atom	y (Å)	z (Å)
C1	0.663	0.954
C2	-0.663	0.954
H3	1.211	1.885
H4	-1.211	1.885
Cl5	1.655	-0.448
Cl6	-1.655	-0.448

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3250	1.0805	2.0921	1.7175	2.7085
C2	1.3250		2.0921	1.0805	2.7085	1.7175
H3	1.0805	2.0921		2.4222	2.3745	3.6953
H4	2.0921	1.0805	2.4222		3.6953	2.3745
Cl5	1.7175	2.7085	2.3745	3.6953		3.3100
Cl6	2.7085	1.7175	3.6953	2.3745	3.3100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.511	C1	C2	Cl6	125.300
C2	C1	H3	120.511	C2	C1	Cl5	125.300
H3	C1	Cl5	114.189	H4	C2	Cl6	114.189

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

using model chemistry: mPW1PW91/6-311G**

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	-0.180
2	C	-0.180
3	H	0.194
4	H	0.194
5	Cl	-0.014
6	Cl	-0.014

	x	y	z	Total
	0.000	0.000	1.996	1.996
CHELPG
AIM
ESP

<r²>	148.949
(<r²>)^1/2	12.204