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	hartrees
Energy at 0K	-997.888029
Energy at 298.15K	-997.890117
Nuclear repulsion energy	184.223733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3222	3117	0.61
2	A₁	1646	1592	37.63
3	A₁	1213	1173	0.03
4	A₁	703	680	19.22
5	A₁	166	160	0.25
6	A₂	910	880	0.00
7	A₂	422	408	0.00
8	B₁	711	688	53.83
9	B₂	3201	3097	14.93
10	B₂	1318	1275	28.05
11	B₂	844	816	81.36
12	B₂	571	552	7.71

Atom	y (Å)	z (Å)
C1	0.662	0.960
C2	-0.662	0.960
H3	1.211	1.889
H4	-1.211	1.889
Cl5	1.660	-0.450
Cl6	-1.660	-0.450

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3240	1.0789	2.0906	1.7276	2.7168
C2	1.3240		2.0906	1.0789	2.7168	1.7276
H3	1.0789	2.0906		2.4218	2.3817	3.7032
H4	2.0906	1.0789	2.4218		3.7032	2.3817
Cl5	1.7276	2.7168	2.3817	3.7032		3.3203
Cl6	2.7168	1.7276	3.7032	2.3817	3.3203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.579	C1	C2	Cl6	125.293
C2	C1	H3	120.579	C2	C1	Cl5	125.293
H3	C1	Cl5	114.128	H4	C2	Cl6	114.128

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

using model chemistry: B3LYP/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	-0.225
2	C	-0.225
3	H	0.347
4	H	0.347
5	Cl	-0.122
6	Cl	-0.122

	x	y	z	Total
	0.000	0.000	1.880	1.880
CHELPG
AIM
ESP

<r²>	149.803
(<r²>)^1/2	12.239