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	hartrees
Energy at 0K	-1181.946919
Energy at 298.15K	-1181.946964
HF Energy	-1181.946919
Nuclear repulsion energy	339.121191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1860	1643	0.00
2	A_g	1308	1155	0.00
3	A_g	657	580	0.00
4	A_g	413	365	0.00
5	A_g	263	233	0.00
6	A_u	354	313	1.75
7	A_u	130	115	1.49
8	B_g	464	409	0.00
9	B_u	1404	1240	141.08
10	B_u	887	783	141.60
11	B_u	403	356	2.33
12	B_u	149	131	3.00

Atom	x (Å)	y (Å)
C1	-0.106	0.672
C2	0.106	-0.672
F3	-1.316	1.266
F4	1.316	-1.266
Cl5	1.316	1.784
Cl6	-1.316	-1.784

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3609	1.3474	2.4037	1.8052	2.7377
C2	1.3609		2.4037	1.3474	2.7377	1.8052
F3	1.3474	2.4037		3.6516	2.6826	3.0493
F4	2.4037	1.3474	3.6516		3.0493	2.6826
Cl5	1.8052	2.7377	2.6826	3.0493		4.4334
Cl6	2.7377	1.8052	3.0493	2.6826	4.4334

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	125.120	C1	C2	Cl6	119.022
C2	C1	F3	125.120	C2	C1	Cl5	119.022
F3	C1	Cl5	115.858	F4	C2	Cl6	115.858

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

using model chemistry: HSEh1PBE/STO-3G

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	0.108
2	C	0.108
3	F	-0.008
4	F	-0.008
5	Cl	-0.100
6	Cl	-0.100

	x	y	z
x	4.416	1.612	0.000
y	1.612	5.527	0.000
z	0.000	0.000	0.526

<r²>	259.555
(<r²>)^1/2	16.111