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	hartrees
Energy at 0K	-997.500924
Energy at 298.15K	-997.503052
HF Energy	-997.500924
Nuclear repulsion energy	185.665330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3242	3115	1.00
2	A₁	1674	1609	36.72
3	A₁	1210	1163	0.00
4	A₁	737	709	19.95
5	A₁	166	159	0.27
6	A₂	916	881	0.00
7	A₂	428	412	0.00
8	B₁	717	689	57.53
9	B₂	3220	3095	14.99
10	B₂	1318	1267	24.05
11	B₂	874	840	81.68
12	B₂	584	561	5.37

Atom	y (Å)	z (Å)
C1	0.662	0.955
C2	-0.662	0.955
H3	1.210	1.886
H4	-1.210	1.886
Cl5	1.642	-0.448
Cl6	-1.642	-0.448

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3232	1.0804	2.0901	1.7113	2.6971
C2	1.3232		2.0901	1.0804	2.6971	1.7113
H3	1.0804	2.0901		2.4192	2.3735	3.6849
H4	2.0901	1.0804	2.4192		3.6849	2.3735
Cl5	1.7113	2.6971	2.3735	3.6849		3.2843
Cl6	2.6971	1.7113	3.6849	2.3735	3.2843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.476	C1	C2	Cl6	124.958
C2	C1	H3	120.476	C2	C1	Cl5	124.958
H3	C1	Cl5	114.566	H4	C2	Cl6	114.566

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

using model chemistry: HSEh1PBE/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	-0.092
2	C	-0.092
3	H	0.155
4	H	0.155
5	Cl	-0.063
6	Cl	-0.063

	x	y	z	Total
	0.000	0.000	1.862	1.862
CHELPG
AIM
ESP

<r²>	147.206
(<r²>)^1/2	12.133