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	hartrees
Energy at 0K	-1190.012868
Energy at 298.15K	-1190.013480
HF Energy	-1190.012868
Nuclear repulsion energy	349.760328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1807	1735	0.00
2	A_g	1230	1181	0.00
3	A_g	646	620	0.00
4	A_g	432	414	0.00
5	A_g	292	280	0.00
6	A_u	379	364	0.95
7	A_u	143	137	0.35
8	B_g	632	606	0.00
9	B_u	1277	1226	191.02
10	B_u	887	852	174.33
11	B_u	417	400	0.92
12	B_u	177	170	3.67

Atom	x (Å)	y (Å)
C1	-0.067	0.659
C2	0.067	-0.659
F3	-1.282	1.252
F4	1.282	-1.252
Cl5	1.282	1.705
Cl6	-1.282	-1.705

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3255	1.3515	2.3391	1.7064	2.6578
C2	1.3255		2.3391	1.3515	2.6578	1.7064
F3	1.3515	2.3391		3.5832	2.6034	2.9562
F4	2.3391	1.3515	3.5832		2.9562	2.6034
Cl5	1.7064	2.6578	2.6034	2.9562		4.2655
Cl6	2.6578	1.7064	2.9562	2.6034	4.2655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.794	C1	C2	Cl6	121.969
C2	C1	F3	121.794	C2	C1	Cl5	121.969
F3	C1	Cl5	116.236	F4	C2	Cl6	116.236

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

using model chemistry: HSEh1PBE/3-21G*

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	0.121
2	C	0.121
3	F	-0.241
4	F	-0.241
5	Cl	0.119
6	Cl	0.119

	x	y	z
x	6.436	2.155	0.000
y	2.155	8.101	0.000
z	0.000	0.000	2.424

<r²>	246.222
(<r²>)^1/2	15.691