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	hartrees
Energy at 0K	-1195.722239
Energy at 298.15K	-1195.722659
HF Energy	-1195.722239
Nuclear repulsion energy	347.481318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1699	1680	0.00
2	A_g	1135	1122	0.00
3	A_g	622	615	0.00
4	A_g	412	407	0.00
5	A_g	284	281	0.00
6	A_u	347	343	0.06
7	A_u	126	125	0.38
8	B_g	513	507	0.00
9	B_u	1177	1164	328.64
10	B_u	845	836	202.61
11	B_u	417	413	1.73
12	B_u	175	173	1.93

Atom	x (Å)	y (Å)
C1	-0.065	0.668
C2	0.065	-0.668
F3	-1.269	1.251
F4	1.269	-1.251
Cl5	1.269	1.759
Cl6	-1.269	-1.759

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3416	1.3376	2.3370	1.7241	2.7087
C2	1.3416		2.3370	1.3376	2.7087	1.7241
F3	1.3376	2.3370		3.5639	2.5889	3.0096
F4	2.3370	1.3376	3.5639		3.0096	2.5889
Cl5	1.7241	2.7087	2.5889	3.0096		4.3380
Cl6	2.7087	1.7241	3.0096	2.5889	4.3380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.447	C1	C2	Cl6	123.669
C2	C1	F3	121.447	C2	C1	Cl5	123.669
F3	C1	Cl5	114.885	F4	C2	Cl6	114.885

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

using model chemistry: PBEPBE/TZVP

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	0.093
2	C	0.093
3	F	-0.100
4	F	-0.100
5	Cl	0.007
6	Cl	0.007

	x	y	z
x	7.668	2.251	0.000
y	2.251	9.477	0.000
z	0.000	0.000	4.012

<r²>	251.061
(<r²>)^1/2	15.845