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	hartrees
Energy at 0K	-1194.380840
Energy at 298.15K	-1194.381416
HF Energy	-1193.502906
Nuclear repulsion energy	351.184045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1832	1719	11.79
2	A₁	1238	1162	293.12
3	A₁	583	547	0.39
4	A₁	339	318	2.80
5	A₁	172	161	1.31
6	A₂	534	501	0.00
7	A₂	152	143	0.00
8	B₁	349	328	1.79
9	B₂	1286	1207	16.99
10	B₂	996	935	170.96
11	B₂	444	417	0.21
12	B₂	426	400	1.17

Atom	y (Å)	z (Å)
C1	0.666	0.403
C2	-0.666	0.403
F3	1.318	1.570
F4	-1.318	1.570
Cl5	1.673	-0.974
Cl6	-1.673	-0.974

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3329	1.3366	2.3024	1.7056	2.7144
C2	1.3329		2.3024	1.3366	2.7144	1.7056
F3	1.3366	2.3024		2.6368	2.5687	3.9267
F4	2.3024	1.3366	2.6368		3.9267	2.5687
Cl5	1.7056	2.7144	2.5687	3.9267		3.3452
Cl6	2.7144	1.7056	3.9267	2.5687	3.3452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.193	C1	C2	Cl6	126.150
C2	C1	F3	119.193	C2	C1	Cl5	126.150
F3	C1	Cl5	114.658	F4	C2	Cl6	114.658

All results from a given calculation for CFClCFCl (cis-1,2-dichloro-1,2-difluoroethylene)

using model chemistry: MP3/6-31G*

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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