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	hartrees
Energy at 0K	-89.370772
Energy at 298.15K	-89.371062
HF Energy	-89.370772
Nuclear repulsion energy	116.422926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1724	1680	0.00
2	A_g	1105	1076	0.00
3	A_g	590	575	0.00
4	A_g	395	385	0.00
5	A_g	267	261	0.00
6	A_u	333	324	1.39
7	A_u	124	121	0.53
8	B_g	499	487	0.00
9	B_u	1131	1102	270.14
10	B_u	821	800	168.43
11	B_u	389	379	4.17
12	B_u	165	160	3.03

Atom	x (Å)	y (Å)
C1	-0.060	0.671
C2	0.060	-0.671
F3	-1.308	1.275
F4	1.308	-1.275
Cl5	1.308	1.818
Cl6	-1.308	-1.818

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3478	1.3866	2.3787	1.7848	2.7846
C2	1.3478		2.3787	1.3866	2.7846	1.7848
F3	1.3866	2.3787		3.6531	2.6718	3.0928
F4	2.3787	1.3866	3.6531		3.0928	2.6718
Cl5	1.7848	2.7846	2.6718	3.0928		4.4791
Cl6	2.7846	1.7848	3.0928	2.6718	4.4791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.894	C1	C2	Cl6	124.887
C2	C1	F3	120.894	C2	C1	Cl5	124.887
F3	C1	Cl5	114.219	F4	C2	Cl6	114.219

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

using model chemistry: B3LYP/CEP-121G

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	-0.019
2	C	-0.019
3	F	-0.137
4	F	-0.137
5	Cl	0.157
6	Cl	0.157

	x	y	z
x	7.368	2.503	0.000
y	2.503	9.063	0.000
z	0.000	0.000	2.734

<r²>	149.155
(<r²>)^1/2	12.213