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	hartrees
Energy at 0K	-1195.752276
Energy at 298.15K	-1195.752695
HF Energy	-1195.752276
Nuclear repulsion energy	348.646498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1694	1675	0.00
2	A_g	1132	1119	0.00
3	A_g	622	615	0.00
4	A_g	412	408	0.00
5	A_g	280	277	0.00
6	A_u	349	345	0.21
7	A_u	127	126	0.24
8	B_g	517	511	0.00
9	B_u	1174	1161	289.74
10	B_u	853	844	181.15
11	B_u	414	409	1.95
12	B_u	170	168	1.74

Atom	x (Å)	y (Å)
C1	-0.062	0.668
C2	0.062	-0.668
F3	-1.265	1.252
F4	1.265	-1.252
Cl5	1.265	1.749
Cl6	-1.265	-1.749

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3413	1.3377	2.3344	1.7121	2.6997
C2	1.3413		2.3344	1.3377	2.6997	1.7121
F3	1.3377	2.3344		3.5607	2.5788	3.0016
F4	2.3344	1.3377	3.5607		3.0016	2.5788
Cl5	1.7121	2.6997	2.5788	3.0016		4.3175
Cl6	2.6997	1.7121	3.0016	2.5788	4.3175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.238	C1	C2	Cl6	123.850
C2	C1	F3	121.238	C2	C1	Cl5	123.850
F3	C1	Cl5	114.913	F4	C2	Cl6	114.913

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

using model chemistry: PBEPBEultrafine/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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Number	Element	Mulliken
1	C	0.311
2	C	0.311
3	F	-0.246
4	F	-0.246
5	Cl	-0.065
6	Cl	-0.065

	x	y	z
x	9.175	2.216	0.000
y	2.216	11.444	0.000
z	0.000	0.000	5.869

<r²>	249.447
(<r²>)^1/2	15.794