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	hartrees
Energy at 0K	-1195.807880
Energy at 298.15K	-1195.808392
HF Energy	-1195.481970
Nuclear repulsion energy	348.200307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1770	1702	0.00
2	A_g	1175	1130	0.00
3	A_g	632	608	0.00
4	A_g	424	408	0.00
5	A_g	287	276	0.00
6	A_u	361	347	0.72
7	A_u	134	129	0.28
8	B_g	536	516	0.00
9	B_u	1198	1152	284.56
10	B_u	886	852	176.84
11	B_u	422	405	3.03
12	B_u	173	166	2.06

Atom	x (Å)	y (Å)
C1	-0.060	0.667
C2	0.060	-0.667
F3	-1.265	1.252
F4	1.265	-1.252
Cl5	1.265	1.756
Cl6	-1.265	-1.756

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3387	1.3395	2.3315	1.7154	2.7062
C2	1.3387		2.3315	1.3395	2.7062	1.7154
F3	1.3395	2.3315		3.5592	2.5796	3.0083
F4	2.3315	1.3395	3.5592		3.0083	2.5796
Cl5	1.7154	2.7062	2.5796	3.0083		4.3290
Cl6	2.7062	1.7154	3.0083	2.5796	4.3290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.039	C1	C2	Cl6	124.303
C2	C1	F3	121.039	C2	C1	Cl5	124.303
F3	C1	Cl5	114.657	F4	C2	Cl6	114.657

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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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