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	hartrees
Energy at 0K	-1195.704733
Energy at 298.15K	-1195.705309
HF Energy	-1195.704733
Nuclear repulsion energy	350.721930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1801	1719	0.00
2	A_g	1219	1164	0.00
3	A_g	652	622	0.00
4	A_g	434	414	0.00
5	A_g	294	280	0.00
6	A_u	370	353	0.72
7	A_u	135	129	0.35
8	B_g	561	536	0.00
9	B_u	1247	1191	338.35
10	B_u	909	868	196.99
11	B_u	432	413	3.22
12	B_u	177	169	2.18

Atom	x (Å)	y (Å)
C1	-0.059	0.664
C2	0.059	-0.664
F3	-1.255	1.244
F4	1.255	-1.244
Cl5	1.255	1.745
Cl6	-1.255	-1.745

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3331	1.3293	2.3160	1.7010	2.6897
C2	1.3331		2.3160	1.3293	2.6897	1.7010
F3	1.3293	2.3160		3.5334	2.5590	2.9888
F4	2.3160	1.3293	3.5334		2.9888	2.5590
Cl5	1.7010	2.6897	2.5590	2.9888		4.2987
Cl6	2.6897	1.7010	2.9888	2.5590	4.2987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.898	C1	C2	Cl6	124.423
C2	C1	F3	120.898	C2	C1	Cl5	124.423
F3	C1	Cl5	114.679	F4	C2	Cl6	114.679

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

using model chemistry: HSEh1PBE/6-31+G**

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	0.036
2	C	0.036
3	F	-0.239
4	F	-0.239
5	Cl	0.203
6	Cl	0.203

	x	y	z
x	7.527	2.075	0.000
y	2.075	9.739	0.000
z	0.000	0.000	4.351

<r²>	247.177
(<r²>)^1/2	15.722