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	hartrees
Energy at 0K	-1195.882934
Energy at 298.15K
HF Energy	-1195.520245
Nuclear repulsion energy	349.993871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1773	1773	0.00
2	A_g	1202	1202	0.00
3	A_g	643	643	0.00
4	A_g	429	429	0.00
5	A_g	293	293	0.00
6	A_u	369	369	0.81
7	A_u	136	136	0.29
8	B_g	554	554	0.00
9	B_u	1234	1234	324.87
10	B_u	885	885	198.16
11	B_u	431	431	2.56
12	B_u	179	179	2.65

Atom	x (Å)	y (Å)
C1	-0.066	0.663
C2	0.066	-0.663
F3	-1.260	1.242
F4	1.260	-1.242
Cl5	1.260	1.746
Cl6	-1.260	-1.746

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3321	1.3276	2.3207	1.7122	2.6886
C2	1.3321		2.3207	1.3276	2.6886	1.7122
F3	1.3276	2.3207		3.5386	2.5707	2.9876
F4	2.3207	1.3276	3.5386		2.9876	2.5707
Cl5	1.7122	2.6886	2.5707	2.9876		4.3065
Cl6	2.6886	1.7122	2.9876	2.5707	4.3065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.516	C1	C2	Cl6	123.578
C2	C1	F3	121.516	C2	C1	Cl5	123.578
F3	C1	Cl5	114.906	F4	C2	Cl6	114.906

All results from a given calculation for CFClCClF (trans-1,2-dichloro-1,2-difluoroethylene)

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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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