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	hartrees
Energy at 0K	-992.429275
Energy at 298.15K	-992.431203
Nuclear repulsion energy	180.062562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3205	3176	0.26
2	A₁	1631	1616	28.35
3	A₁	1176	1165	0.06
4	A₁	632	627	24.75
5	A₁	161	159	0.22
6	A₂	881	873	0.00
7	A₂	391	387	0.00
8	B₁	706	700	95.44
9	B₂	3179	3150	16.64
10	B₂	1272	1260	21.64
11	B₂	765	758	75.25
12	B₂	522	518	9.66

Atom	y (Å)	z (Å)
C1	0.665	1.033
C2	-0.665	1.033
H3	1.262	1.944
H4	-1.262	1.944
Cl5	1.660	-0.479
Cl6	-1.660	-0.479

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3291	1.0889	2.1310	1.8104	2.7729
C2	1.3291		2.1310	1.0889	2.7729	1.8104
H3	1.0889	2.1310		2.5246	2.4550	3.7956
H4	2.1310	1.0889	2.5246		3.7956	2.4550
Cl5	1.8104	2.7729	2.4550	3.7956		3.3190
Cl6	2.7729	1.8104	3.7956	2.4550	3.3190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.294	C1	C2	Cl6	123.339
C2	C1	H3	123.294	C2	C1	Cl5	123.339
H3	C1	Cl5	113.367	H4	C2	Cl6	113.367

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

using model chemistry: PBEPBE/3-21G

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	-0.402
2	C	-0.402
3	H	0.280
4	H	0.280
5	Cl	0.121
6	Cl	0.121

	x	y	z	Total
	0.000	0.000	2.494	2.494
CHELPG
AIM
ESP

<r²>	153.046
(<r²>)^1/2	12.371