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	hartrees
Energy at 0K	-1196.391756
Energy at 298.15K	-1196.392285
HF Energy	-1196.391756
Nuclear repulsion energy	348.675107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1761	1700	0.00
2	A_g	1172	1131	0.00
3	A_g	638	616	0.00
4	A_g	422	407	0.00
5	A_g	291	281	0.00
6	A_u	361	349	0.49
7	A_u	132	127	0.37
8	B_g	554	535	0.00
9	B_u	1211	1169	336.65
10	B_u	860	830	200.92
11	B_u	426	412	2.18
12	B_u	180	174	2.18

Atom	x (Å)	y (Å)
C1	-0.065	0.661
C2	0.065	-0.661
F3	-1.263	1.240
F4	1.263	-1.240
Cl5	1.263	1.761
Cl6	-1.263	-1.761

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3286	1.3299	2.3191	1.7244	2.7016
C2	1.3286		2.3191	1.3299	2.7016	1.7244
F3	1.3299	2.3191		3.5396	2.5786	3.0008
F4	2.3191	1.3299	3.5396		3.0008	2.5786
Cl5	1.7244	2.7016	2.5786	3.0008		4.3335
Cl6	2.7016	1.7244	3.0008	2.5786	4.3335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.468	C1	C2	Cl6	123.965
C2	C1	F3	121.468	C2	C1	Cl5	123.965
F3	C1	Cl5	114.567	F4	C2	Cl6	114.567

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

using model chemistry: B3LYP/TZVP

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	0.138
2	C	0.138
3	F	-0.139
4	F	-0.139
5	Cl	0.001
6	Cl	0.001

	x	y	z
x	7.326	2.172	0.000
y	2.172	9.207	0.000
z	0.000	0.000	3.944

<r²>	250.009
(<r²>)^1/2	15.812