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	hartrees
Energy at 0K	-1190.204869
Energy at 298.15K	-1190.205364
HF Energy	-1190.204869
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1860	1860	0.00
2	A_g	1207	1207	0.00
3	A_g	629	629	0.00
4	A_g	404	404	0.00
5	A_g	278	278	0.00
6	A_u	375	375	2.15
7	A_u	135	135	0.01
8	B_g	615	615	0.00
9	B_u	1291	1291	217.96
10	B_u	818	818	167.46
11	B_u	396	396	0.88
12	B_u	171	171	4.36

Atom	x (Å)	y (Å)
C1	-0.095	0.651
C2	0.095	-0.651
F3	-1.303	1.235
F4	1.303	-1.235
Cl5	1.303	1.765
Cl6	-1.303	-1.765

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3150	1.3425	2.3475	1.7876	2.7007
C2	1.3150		2.3475	1.3425	2.7007	1.7876
F3	1.3425	2.3475		3.5912	2.6600	2.9995
F4	2.3475	1.3425	3.5912		2.9995	2.6600
Cl5	1.7876	2.7007	2.6600	2.9995		4.3874
Cl6	2.7007	1.7876	2.9995	2.6600	4.3874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	124.090	C1	C2	Cl6	120.258
C2	C1	F3	124.090	C2	C1	Cl5	120.258
F3	C1	Cl5	115.652	F4	C2	Cl6	115.652

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

using model chemistry: wB97X-D/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	0.061
2	C	0.061
3	F	-0.232
4	F	-0.232
5	Cl	0.170
6	Cl	0.170

	x	y	z
x	6.375	2.437	0.000
y	2.437	7.825	0.000
z	0.000	0.000	1.795

<r²>	256.074
(<r²>)^1/2	16.002