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	hartrees
Energy at 0K	-991.325809
Energy at 298.15K	-991.327764
HF Energy	-991.017073
Nuclear repulsion energy	178.004863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3254	3154	0.05
2	A₁	1663	1611	13.60
3	A₁	1219	1181	0.39
4	A₁	609	590	18.40
5	A₁	164	159	0.35
6	A₂	949	920	0.00
7	A₂	392	380	0.00
8	B₁	741	718	73.99
9	B₂	3227	3128	10.58
10	B₂	1327	1286	33.07
11	B₂	768	744	44.93
12	B₂	513	497	8.14

Atom	y (Å)	z (Å)
C1	0.664	1.043
C2	-0.664	1.043
H3	1.257	1.949
H4	-1.257	1.949
Cl5	1.688	-0.483
Cl6	-1.688	-0.483

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3273	1.0834	2.1238	1.8371	2.8026
C2	1.3273		2.1238	1.0834	2.8026	1.8371
H3	1.0834	2.1238		2.5139	2.4697	3.8189
H4	2.1238	1.0834	2.5139		3.8189	2.4697
Cl5	1.8371	2.8026	2.4697	3.8189		3.3750
Cl6	2.8026	1.8371	3.8189	2.4697	3.3750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.203	C1	C2	Cl6	123.872
C2	C1	H3	123.203	C2	C1	Cl5	123.872
H3	C1	Cl5	112.925	H4	C2	Cl6	112.925

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

using model chemistry: QCISD/3-21G

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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