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	hartrees
Energy at 0K	-89.355215
Energy at 298.15K	-89.355535
HF Energy	-89.355215
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1804	1804	0.00
2	A_g	1160	1160	0.00
3	A_g	607	607	0.00
4	A_g	404	404	0.00
5	A_g	271	271	0.00
6	A_u	339	339	1.46
7	A_u	122	122	0.56
8	B_g	522	522	0.00
9	B_u	1175	1175	275.96
10	B_u	853	853	162.37
11	B_u	397	397	4.52
12	B_u	163	163	3.25

Atom	x (Å)	y (Å)
C1	-0.061	0.677
C2	0.061	-0.677
F3	-1.301	1.275
F4	1.301	-1.275
Cl5	1.301	1.811
Cl6	-1.301	-1.811

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3587	1.3777	2.3802	1.7723	2.7796
C2	1.3587		2.3802	1.3777	2.7796	1.7723
F3	1.3777	2.3802		3.6442	2.6573	3.0860
F4	2.3802	1.3777	3.6442		3.0860	2.6573
Cl5	1.7723	2.7796	2.6573	3.0860		4.4597
Cl6	2.7796	1.7723	3.0860	2.6573	4.4597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.871	C1	C2	Cl6	124.665
C2	C1	F3	120.871	C2	C1	Cl5	124.665
F3	C1	Cl5	114.464	F4	C2	Cl6	114.464

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

using model chemistry: wB97X-D/CEP-31G

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	-0.002
2	C	-0.002
3	F	-0.106
4	F	-0.106
5	Cl	0.108
6	Cl	0.108

	x	y	z
x	6.866	2.551	0.000
y	2.551	8.581	0.000
z	0.000	0.000	1.885

<r²>	148.441
(<r²>)^1/2	12.184