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	hartrees
Energy at 0K	-996.670575
Energy at 298.15K	-996.672708
HF Energy	-995.933312
Nuclear repulsion energy	184.868115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3264	3072	1.62
2	A₁	1686	1587	28.67
3	A₁	1226	1154	0.15
4	A₁	734	691	18.43
5	A₁	169	159	0.31
6	A₂	926	871	0.00
7	A₂	419	394	0.00
8	B₁	729	686	52.55
9	B₂	3241	3050	12.48
10	B₂	1344	1265	27.43
11	B₂	879	827	65.02
12	B₂	580	546	4.76

Atom	y (Å)	z (Å)
C1	0.666	0.980
C2	-0.666	0.980
H3	1.205	1.906
H4	-1.205	1.906
Cl5	1.619	-0.458
Cl6	-1.619	-0.458

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3313	1.0715	2.0871	1.7251	2.6994
C2	1.3313		2.0871	1.0715	2.6994	1.7251
H3	1.0715	2.0871		2.4097	2.3997	3.6826
H4	2.0871	1.0715	2.4097		3.6826	2.3997
Cl5	1.7251	2.6994	2.3997	3.6826		3.2379
Cl6	2.6994	1.7251	3.6826	2.3997	3.2379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.215	C1	C2	Cl6	123.546
C2	C1	H3	120.215	C2	C1	Cl5	123.546
H3	C1	Cl5	116.238	H4	C2	Cl6	116.238

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

using model chemistry: CCSD/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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