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	hartrees
Energy at 0K	-996.390451
Energy at 298.15K	-996.392603
HF Energy	-995.832905
Nuclear repulsion energy	184.865684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3326	3108	2.44
2	A₁	1683	1572	29.89
3	A₁	1263	1180	0.03
4	A₁	752	703	20.30
5	A₁	172	161	0.26
6	A₂	916	856	0.00
7	A₂	425	397	0.00
8	B₁	737	689	55.06
9	B₂	3306	3089	13.55
10	B₂	1374	1284	25.06
11	B₂	907	847	70.35
12	B₂	592	553	3.90

Atom	y (Å)	z (Å)
C1	0.668	0.954
C2	-0.668	0.954
H3	1.207	1.888
H4	-1.207	1.888
Cl5	1.654	-0.448
Cl6	-1.654	-0.448

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3351	1.0782	2.0941	1.7143	2.7119
C2	1.3351		2.0941	1.0782	2.7119	1.7143
H3	1.0782	2.0941		2.4137	2.3782	3.6931
H4	2.0941	1.0782	2.4137		3.6931	2.3782
Cl5	1.7143	2.7119	2.3782	3.6931		3.3074
Cl6	2.7119	1.7143	3.6931	2.3782	3.3074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.013	C1	C2	Cl6	125.119
C2	C1	H3	120.013	C2	C1	Cl5	125.119
H3	C1	Cl5	114.868	H4	C2	Cl6	114.868

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

using model chemistry: MP2=FULL/6-31G**

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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