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	hartrees
Energy at 0K	-996.490929
Energy at 298.15K	-996.493052
Nuclear repulsion energy	184.039667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3107	4.43
2	A₁	1676	1599	29.12
3	A₁	1243	1186	0.16
4	A₁	736	702	19.63
5	A₁	173	165	0.26
6	A₂	905	863	0.00
7	A₂	409	390	0.00
8	B₁	722	689	64.11
9	B₂	3234	3085	10.89
10	B₂	1351	1289	26.38
11	B₂	888	847	80.64
12	B₂	580	553	3.46

Atom	y (Å)	z (Å)
C1	0.668	0.960
C2	-0.668	0.960
H3	1.215	1.895
H4	-1.215	1.895
Cl5	1.661	-0.450
Cl6	-1.661	-0.450

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3358	1.0834	2.1024	1.7246	2.7223
C2	1.3358		2.1024	1.0834	2.7223	1.7246
H3	1.0834	2.1024		2.4302	2.3871	3.7108
H4	2.1024	1.0834	2.4302		3.7108	2.3871
Cl5	1.7246	2.7223	2.3871	3.7108		3.3216
Cl6	2.7223	1.7246	3.7108	2.3871	3.3216

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.335	C1	C2	Cl6	125.152
C2	C1	H3	120.335	C2	C1	Cl5	125.152
H3	C1	Cl5	114.513	H4	C2	Cl6	114.513

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

using model chemistry: QCISD/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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