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	hartrees
Energy at 0K	-1195.882930
Energy at 298.15K	-1195.883502
HF Energy	-1195.520233
Nuclear repulsion energy	350.002546

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	294	294	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	324.81
10	B_u	886	886	198.14
11	B_u	431	431	2.56
12	B_u	180	180	2.63

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	1.3278	2.3208	1.7119	2.6886
C2	1.3321		2.3208	1.3278	2.6886	1.7119
F3	1.3278	2.3208		3.5389	2.5705	2.9876
F4	2.3208	1.3278	3.5389		2.9876	2.5705
Cl5	1.7119	2.6886	2.5705	2.9876		4.3062
Cl6	2.6886	1.7119	2.9876	2.5705	4.3062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.504	C1	C2	Cl6	123.593
C2	C1	F3	121.504	C2	C1	Cl5	123.593
F3	C1	Cl5	114.903	F4	C2	Cl6	114.903

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

using model chemistry: B2PLYP=FULL/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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