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	hartrees
Energy at 0K	-1195.062713
Energy at 298.15K	-1195.063408
HF Energy	-1193.694776
Nuclear repulsion energy	354.835127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1840	1840	20.49
2	A₁	1235	1235	304.31
3	A₁	589	589	0.17
4	A₁	338	338	2.69
5	A₁	172	172	1.07
6	A₂	605	605	0.00
7	A₂	154	154	0.00
8	B₁	364	364	0.71
9	B₂	1276	1276	27.10
10	B₂	1002	1002	158.68
11	B₂	450	450	0.44
12	B₂	429	429	0.64

Atom	y (Å)	z (Å)
C1	0.661	0.415
C2	-0.661	0.415
F3	1.320	1.555
F4	-1.320	1.555
Cl5	1.639	-0.970
Cl6	-1.639	-0.970

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3216	1.3173	2.2854	1.6953	2.6845
C2	1.3216		2.2854	1.3173	2.6845	1.6953
F3	1.3173	2.2854		2.6391	2.5453	3.8898
F4	2.2854	1.3173	2.6391		3.8898	2.5453
Cl5	1.6953	2.6845	2.5453	3.8898		3.2785
Cl6	2.6845	1.6953	3.8898	2.5453	3.2785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.006	C1	C2	Cl6	125.252
C2	C1	F3	120.006	C2	C1	Cl5	125.252
F3	C1	Cl5	114.742	F4	C2	Cl6	114.742

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

using model chemistry: MP3=FULL/aug-cc-pVTZ

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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