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	hartrees
Energy at 0K	-991.294396
Energy at 298.15K	-991.296395
HF Energy	-991.017723
Nuclear repulsion energy	178.592331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3302	3152	0.06
2	A₁	1658	1582	15.95
3	A₁	1237	1181	0.12
4	A₁	623	595	19.14
5	A₁	166	158	0.30
6	A₂	962	918	0.00
7	A₂	403	384	0.00
8	B₁	752	718	81.26
9	B₂	3276	3127	13.11
10	B₂	1346	1285	30.79
11	B₂	781	745	49.81
12	B₂	525	501	9.02

Atom	y (Å)	z (Å)
C1	0.663	1.037
C2	-0.663	1.037
H3	1.251	1.943
H4	-1.251	1.943
Cl5	1.683	-0.480
Cl6	-1.683	-0.480

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3262	1.0803	2.1179	1.8283	2.7942
C2	1.3262		2.1179	1.0803	2.7942	1.8283
H3	1.0803	2.1179		2.5023	2.4616	3.8058
H4	2.1179	1.0803	2.5023		3.8058	2.4616
Cl5	1.8283	2.7942	2.4616	3.8058		3.3668
Cl6	2.7942	1.8283	3.8058	2.4616	3.3668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	122.979	C1	C2	Cl6	123.921
C2	C1	H3	122.979	C2	C1	Cl5	123.921
H3	C1	Cl5	113.100	H4	C2	Cl6	113.100

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

using model chemistry: MP2/3-21G

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	ESP
1	C	-0.346	-0.116
2	C	-0.346	-0.116
3	H	0.268	0.192
4	H	0.268	0.192
5	Cl	0.078	-0.076
6	Cl	0.078	-0.076

<r²>	156.396
(<r²>)^1/2	12.506