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	hartrees
Energy at 0K	-1195.878664
Energy at 298.15K	-1195.879266
HF Energy	-1195.878664
Nuclear repulsion energy	352.090762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1787	1719	0.00
2	A_g	1210	1164	0.00
3	A_g	653	628	0.00
4	A_g	433	417	0.00
5	A_g	292	281	0.00
6	A_u	372	358	0.52
7	A_u	135	130	0.22
8	B_g	571	549	0.00
9	B_u	1250	1202	298.70
10	B_u	898	864	181.15
11	B_u	432	416	2.45
12	B_u	178	171	1.92

Atom	x (Å)	y (Å)
C1	-0.064	0.661
C2	0.064	-0.661
F3	-1.252	1.237
F4	1.252	-1.237
Cl5	1.252	1.736
Cl6	-1.252	-1.736

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3276	1.3202	2.3093	1.6992	2.6745
C2	1.3276		2.3093	1.3202	2.6745	1.6992
F3	1.3202	2.3093		3.5198	2.5531	2.9725
F4	2.3093	1.3202	3.5198		2.9725	2.5531
Cl5	1.6992	2.6745	2.5531	2.9725		4.2800
Cl6	2.6745	1.6992	2.9725	2.5531	4.2800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.419	C1	C2	Cl6	123.699
C2	C1	F3	121.419	C2	C1	Cl5	123.699
F3	C1	Cl5	114.882	F4	C2	Cl6	114.882

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

using model chemistry: HSEh1PBE/aug-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	0.348
2	C	0.348
3	F	-0.256
4	F	-0.256
5	Cl	-0.092
6	Cl	-0.092

	x	y	z
x	8.587	2.077	0.000
y	2.077	10.870	0.000
z	0.000	0.000	5.642

<r²>	245.172
(<r²>)^1/2	15.658