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	hartrees
Energy at 0K	-1195.745111
Energy at 298.15K	-1195.745547
HF Energy	-1195.745111
Nuclear repulsion energy	348.682652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1701	1689	0.00
2	A_g	1144	1136	0.00
3	A_g	624	619	0.00
4	A_g	413	410	0.00
5	A_g	282	280	0.00
6	A_u	353	350	0.08
7	A_u	128	127	0.21
8	B_g	520	517	0.00
9	B_u	1189	1181	289.95
10	B_u	852	846	186.04
11	B_u	414	412	1.67
12	B_u	172	171	1.76

Atom	x (Å)	y (Å)
C1	-0.065	0.668
C2	0.065	-0.668
F3	-1.266	1.251
F4	1.266	-1.251
Cl5	1.266	1.748
Cl6	-1.266	-1.748

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3413	1.3352	2.3351	1.7144	2.6977
C2	1.3413		2.3351	1.3352	2.6977	1.7144
F3	1.3352	2.3351		3.5597	2.5801	2.9993
F4	2.3351	1.3352	3.5597		2.9993	2.5801
Cl5	1.7144	2.6977	2.5801	2.9993		4.3167
Cl6	2.6977	1.7144	2.9993	2.5801	4.3167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.481	C1	C2	Cl6	123.515
C2	C1	F3	121.481	C2	C1	Cl5	123.515
F3	C1	Cl5	115.004	F4	C2	Cl6	115.004

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

using model chemistry: PBEPBE/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	0.120
2	C	0.120
3	F	-0.095
4	F	-0.095
5	Cl	-0.025
6	Cl	-0.025

	x	y	z
x	8.004	2.363	0.000
y	2.363	10.001	0.000
z	0.000	0.000	4.225

<r²>	249.060
(<r²>)^1/2	15.782