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	hartrees
Energy at 0K	-1195.683326
Energy at 298.15K
HF Energy	-1195.389544
Nuclear repulsion energy	350.774938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1782	1782	13.08
2	A₁	1200	1200	312.78
3	A₁	570	570	1.32
4	A₁	332	332	2.58
5	A₁	169	169	1.29
6	A₂	525	525	0.00
7	A₂	149	149	0.00
8	B₁	347	347	0.98
9	B₂	1246	1246	22.28
10	B₂	970	970	175.85
11	B₂	436	436	0.08
12	B₂	418	418	0.53

Atom	y (Å)	z (Å)
C1	0.668	0.410
C2	-0.668	0.410
F3	1.324	1.572
F4	-1.324	1.572
Cl5	1.670	-0.977
Cl6	-1.670	-0.977

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3356	1.3349	2.3064	1.7108	2.7181
C2	1.3356		2.3064	1.3349	2.7181	1.7108
F3	1.3349	2.3064		2.6485	2.5722	3.9322
F4	2.3064	1.3349	2.6485		3.9322	2.5722
Cl5	1.7108	2.7181	2.5722	3.9322		3.3402
Cl6	2.7181	1.7108	3.9322	2.5722	3.3402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.456	C1	C2	Cl6	125.862
C2	C1	F3	119.456	C2	C1	Cl5	125.862
F3	C1	Cl5	114.682	F4	C2	Cl6	114.682

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

using model chemistry: B2PLYP=FULLultrafine/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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