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	hartrees
Energy at 0K	-1195.757717
Energy at 298.15K	-1195.758277
HF Energy	-1195.455732
Nuclear repulsion energy	348.854358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1787	1713	0.00
2	A_g	1215	1164	0.00
3	A_g	642	615	0.00
4	A_g	428	410	0.00
5	A_g	291	279	0.00
6	A_u	374	359	0.78
7	A_u	136	131	0.18
8	B_g	553	530	0.00
9	B_u	1245	1193	312.70
10	B_u	884	848	188.32
11	B_u	425	408	2.26
12	B_u	176	168	2.31

Atom	x (Å)	y (Å)
C1	-0.068	0.666
C2	0.068	-0.666
F3	-1.265	1.246
F4	1.265	-1.246
Cl5	1.265	1.750
Cl6	-1.265	-1.750

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3387	1.3302	2.3310	1.7186	2.6960
C2	1.3387		2.3310	1.3302	2.6960	1.7186
F3	1.3302	2.3310		3.5516	2.5803	2.9958
F4	2.3310	1.3302	3.5516		2.9958	2.5803
Cl5	1.7186	2.6960	2.5803	2.9958		4.3189
Cl6	2.6960	1.7186	2.9958	2.5803	4.3189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.710	C1	C2	Cl6	123.252
C2	C1	F3	121.710	C2	C1	Cl5	123.252
F3	C1	Cl5	115.037	F4	C2	Cl6	115.037

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

using model chemistry: B2PLYP=FULL/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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