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	hartrees
Energy at 0K	-1195.872800
Energy at 298.15K	-1195.873412
HF Energy	-1195.872800
Nuclear repulsion energy	352.086642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1793	1723	0.00
2	A_g	1218	1171	0.00
3	A_g	654	629	0.00
4	A_g	433	417	0.00
5	A_g	293	282	0.00
6	A_u	375	360	0.36
7	A_u	136	131	0.22
8	B_g	573	551	0.00
9	B_u	1258	1209	306.49
10	B_u	898	864	186.63
11	B_u	432	416	2.27
12	B_u	179	172	1.95

Atom	x (Å)	y (Å)
C1	-0.065	0.661
C2	0.065	-0.661
F3	-1.252	1.236
F4	1.252	-1.236
Cl5	1.252	1.735
Cl6	-1.252	-1.735

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3275	1.3194	2.3094	1.7003	2.6738
C2	1.3275		2.3094	1.3194	2.6738	1.7003
F3	1.3194	2.3094		3.5194	2.5541	2.9713
F4	2.3094	1.3194	3.5194		2.9713	2.5541
Cl5	1.7003	2.6738	2.5541	2.9713		4.2800
Cl6	2.6738	1.7003	2.9713	2.5541	4.2800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.498	C1	C2	Cl6	123.568
C2	C1	F3	121.498	C2	C1	Cl5	123.568
F3	C1	Cl5	114.935	F4	C2	Cl6	114.935

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

using model chemistry: HSEh1PBE/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	0.147
2	C	0.147
3	F	-0.114
4	F	-0.114
5	Cl	-0.033
6	Cl	-0.033

	x	y	z
x	7.564	2.220	0.000
y	2.220	9.595	0.000
z	0.000	0.000	4.147

<r²>	244.948
(<r²>)^1/2	15.651