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	hartrees
Energy at 0K	-41.977606
Energy at 298.15K	-41.979621
HF Energy	-41.472985
Nuclear repulsion energy	52.895162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3270	3104	8.94
2	A₁	1651	1568	32.03
3	A₁	1209	1148	0.11
4	A₁	747	709	22.02
5	A₁	164	156	0.29
6	A₂	796	756	0.00
7	A₂	392	372	0.00
8	B₁	700	664	86.87
9	B₂	3237	3073	11.49
10	B₂	1313	1246	28.45
11	B₂	890	845	80.38
12	B₂	568	539	3.14

Atom	y (Å)	z (Å)
C1	0.686	0.973
C2	-0.686	0.973
H3	1.237	1.918
H4	-1.237	1.918
Cl5	1.668	-0.456
Cl6	-1.668	-0.456

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3717	1.0943	2.1429	1.7342	2.7539
C2	1.3717		2.1429	1.0943	2.7539	1.7342
H3	1.0943	2.1429		2.4746	2.4131	3.7523
H4	2.1429	1.0943	2.4746		3.7523	2.4131
Cl5	1.7342	2.7539	2.4131	3.7523		3.3364
Cl6	2.7539	1.7342	3.7523	2.4131	3.3364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.261	C1	C2	Cl6	124.502
C2	C1	H3	120.261	C2	C1	Cl5	124.502
H3	C1	Cl5	115.237	H4	C2	Cl6	115.237

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

using model chemistry: MP2/CEP-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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