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	hartrees
Energy at 0K	-991.306471
Energy at 298.15K	-991.308470
HF Energy	-991.017744
Nuclear repulsion energy	178.626623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3303	3154	0.07
2	A₁	1658	1583	15.94
3	A₁	1237	1181	0.12
4	A₁	623	595	19.10
5	A₁	166	158	0.30
6	A₂	963	920	0.00
7	A₂	403	385	0.00
8	B₁	753	719	81.37
9	B₂	3276	3128	13.14
10	B₂	1345	1285	30.65
11	B₂	781	745	49.69
12	B₂	525	501	8.95

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	1.682	-0.480
Cl6	-1.682	-0.480

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3259	1.0802	2.1178	1.8285	2.7937
C2	1.3259		2.1178	1.0802	2.7937	1.8285
H3	1.0802	2.1178		2.5025	2.4619	3.8054
H4	2.1178	1.0802	2.5025		3.8054	2.4619
Cl5	1.8285	2.7937	2.4619	3.8054		3.3647
Cl6	2.7937	1.8285	3.8054	2.4619	3.3647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.000	C1	C2	Cl6	123.883
C2	C1	H3	123.000	C2	C1	Cl5	123.883
H3	C1	Cl5	113.117	H4	C2	Cl6	113.117

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

using model chemistry: MP2=FULL/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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