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	hartrees
Energy at 0K	-997.355057
Energy at 298.15K	-997.357177
HF Energy	-997.355057
Nuclear repulsion energy	184.807280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3275	3112	1.44
2	A₁	1702	1618	36.41
3	A₁	1239	1177	0.01
4	A₁	744	707	23.01
5	A₁	168	160	0.25
6	A₂	912	867	0.00
7	A₂	428	407	0.00
8	B₁	724	688	63.80
9	B₂	3254	3093	13.90
10	B₂	1343	1276	24.31
11	B₂	889	845	88.57
12	B₂	589	560	4.56

Atom	y (Å)	z (Å)
C1	0.665	0.953
C2	-0.665	0.953
H3	1.212	1.889
H4	-1.212	1.889
Cl5	1.655	-0.448
Cl6	-1.655	-0.448

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3298	1.0842	2.0971	1.7156	2.7103
C2	1.3298		2.0971	1.0842	2.7103	1.7156
H3	1.0842	2.0971		2.4232	2.3788	3.6988
H4	2.0971	1.0842	2.4232		3.6988	2.3788
Cl5	1.7156	2.7103	2.3788	3.6988		3.3106
Cl6	2.7103	1.7156	3.6988	2.3788	3.3106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.282	C1	C2	Cl6	125.260
C2	C1	H3	120.282	C2	C1	Cl5	125.260
H3	C1	Cl5	114.459	H4	C2	Cl6	114.459

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

using model chemistry: PBE1PBE/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	-0.272
2	C	-0.272
3	H	0.234
4	H	0.234
5	Cl	0.038
6	Cl	0.038

	x	y	z	Total
	0.000	0.000	2.029	2.029
CHELPG
AIM
ESP

<r²>	148.605
(<r²>)^1/2	12.190