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	hartrees
Energy at 0K	-1195.815586
Energy at 298.15K	-1195.816197
HF Energy	-1195.815586
Nuclear repulsion energy	351.570710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1801	1730	0.00
2	A_g	1218	1170	0.00
3	A_g	654	628	0.00
4	A_g	434	416	0.00
5	A_g	295	283	0.00
6	A_u	374	359	0.57
7	A_u	137	132	0.28
8	B_g	570	548	0.00
9	B_u	1256	1206	344.63
10	B_u	897	862	209.14
11	B_u	435	418	2.34
12	B_u	179	172	2.52

Atom	x (Å)	y (Å)
C1	-0.066	0.661
C2	0.066	-0.661
F3	-1.254	1.238
F4	1.254	-1.238
Cl5	1.254	1.737
Cl6	-1.254	-1.737

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3286	1.3208	2.3133	1.7038	2.6766
C2	1.3286		2.3133	1.3208	2.6766	1.7038
F3	1.3208	2.3133		3.5251	2.5579	2.9757
F4	2.3133	1.3208	3.5251		2.9757	2.5579
Cl5	1.7038	2.6766	2.5579	2.9757		4.2859
Cl6	2.6766	1.7038	2.9757	2.5579	4.2859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.648	C1	C2	Cl6	123.450
C2	C1	F3	121.648	C2	C1	Cl5	123.450
F3	C1	Cl5	114.902	F4	C2	Cl6	114.902

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

using model chemistry: HSEh1PBE/6-311G**

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	0.138
2	C	0.138
3	F	-0.159
4	F	-0.159
5	Cl	0.021
6	Cl	0.021

	x	y	z
x	6.896	2.453	0.000
y	2.453	8.774	0.000
z	0.000	0.000	2.922

<r²>	246.018
(<r²>)^1/2	15.685