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	hartrees
Energy at 0K	-996.729303
Energy at 298.15K	-996.731455
HF Energy	-995.933186
Nuclear repulsion energy	186.216556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3287	3120	0.75
2	A₁	1657	1573	31.51
3	A₁	1225	1163	0.03
4	A₁	751	713	17.82
5	A₁	169	160	0.24
6	A₂	918	872	0.00
7	A₂	428	406	0.00
8	B₁	733	696	55.54
9	B₂	3257	3092	16.10
10	B₂	1336	1269	23.19
11	B₂	889	844	67.56
12	B₂	584	555	3.85

Atom	y (Å)	z (Å)
C1	0.666	0.981
C2	-0.666	0.981
H3	1.207	1.901
H4	-1.207	1.901
Cl5	1.597	-0.458
Cl6	-1.597	-0.458

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3323	1.0673	2.0868	1.7139	2.6820
C2	1.3323		2.0868	1.0673	2.6820	1.7139
H3	1.0673	2.0868		2.4135	2.3914	3.6644
H4	2.0868	1.0673	2.4135		3.6644	2.3914
Cl5	1.7139	2.6820	2.3914	3.6644		3.1942
Cl6	2.6820	1.7139	3.6644	2.3914	3.1942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.430	C1	C2	Cl6	122.901
C2	C1	H3	120.430	C2	C1	Cl5	122.901
H3	C1	Cl5	116.669	H4	C2	Cl6	116.669

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

using model chemistry: MP2=FULL/cc-pVTZ

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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