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	hartrees
Energy at 0K	-996.437640
Energy at 298.15K	-996.439758
HF Energy	-995.891938
Nuclear repulsion energy	184.652947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3268	3106	2.84
2	A₁	1652	1570	29.69
3	A₁	1247	1185	0.08
4	A₁	746	709	19.61
5	A₁	174	165	0.20
6	A₂	882	838	0.00
7	A₂	412	391	0.00
8	B₁	713	677	77.28
9	B₂	3248	3086	14.17
10	B₂	1354	1286	21.12
11	B₂	896	852	85.29
12	B₂	586	557	3.29

Atom	y (Å)	z (Å)
C1	0.672	0.973
C2	-0.672	0.973
H3	1.213	1.904
H4	-1.213	1.904
Cl5	1.634	-0.455
Cl6	-1.634	-0.455

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3434	1.0772	2.1023	1.7217	2.7117
C2	1.3434		2.1023	1.0772	2.7117	1.7217
H3	1.0772	2.1023		2.4264	2.3962	3.6972
H4	2.1023	1.0772	2.4264		3.6972	2.3962
Cl5	1.7217	2.7117	2.3962	3.6972		3.2671
Cl6	2.7117	1.7217	3.6972	2.3962	3.2671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.181	C1	C2	Cl6	123.965
C2	C1	H3	120.181	C2	C1	Cl5	123.965
H3	C1	Cl5	115.853	H4	C2	Cl6	115.853

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

using model chemistry: MP2/6-311G*

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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