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	hartrees
Energy at 0K	-1195.046904
Energy at 298.15K	-1195.040161
HF Energy	-1193.499128
Nuclear repulsion energy	354.539901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1977	1977	16.02
2	A₁	1300	1300	362.50
3	A₁	612	612	0.36
4	A₁	360	360	3.59
5	A₁	183	183	1.73
6	A₂	660	660	0.00
7	A₂	168	168	0.00
8	B₁	396	396	3.57
9	B₂	1350	1350	42.94
10	B₂	1051	1051	235.07
11	B₂	470	470	0.20
12	B₂	452	452	0.78

Atom	y (Å)	z (Å)
C1	0.657	0.411
C2	-0.657	0.411
F3	1.312	1.546
F4	-1.312	1.546
Cl5	1.663	-0.964
Cl6	-1.663	-0.964

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3133	1.3105	2.2726	1.7039	2.6967
C2	1.3133		2.2726	1.3105	2.6967	1.7039
F3	1.3105	2.2726		2.6249	2.5338	3.8926
F4	2.2726	1.3105	2.6249		3.8926	2.5338
Cl5	1.7039	2.6967	2.5338	3.8926		3.3267
Cl6	2.6967	1.7039	3.8926	2.5338	3.3267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.027	C1	C2	Cl6	126.216
C2	C1	F3	120.027	C2	C1	Cl5	126.216
F3	C1	Cl5	113.757	F4	C2	Cl6	113.757

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

using model chemistry: CBS-Q

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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