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	hartrees
Energy at 0K	-88.020875
Energy at 298.15K	-88.021674
HF Energy	-88.020875
Nuclear repulsion energy	121.186970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1946	1758	0.00
2	A_g	1334	1205	0.00
3	A_g	694	627	0.00
4	A_g	461	416	0.00
5	A_g	309	279	0.00
6	A_u	409	369	2.21
7	A_u	148	134	0.23
8	B_g	623	563	0.00
9	B_u	1352	1222	390.11
10	B_u	961	868	210.80
11	B_u	455	411	5.00
12	B_u	189	171	2.72

Atom	x (Å)	y (Å)
C1	-0.065	0.655
C2	0.065	-0.655
F3	-1.249	1.230
F4	1.249	-1.230
Cl5	1.249	1.759
Cl6	-1.249	-1.759

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3170	1.3166	2.2978	1.7158	2.6894
C2	1.3170		2.2978	1.3166	2.6894	1.7158
F3	1.3166	2.2978		3.5060	2.5535	2.9892
F4	2.2978	1.3166	3.5060		2.9892	2.5535
Cl5	1.7158	2.6894	2.5535	2.9892		4.3151
Cl6	2.6894	1.7158	2.9892	2.5535	4.3151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.505	C1	C2	Cl6	124.422
C2	C1	F3	121.505	C2	C1	Cl5	124.422
F3	C1	Cl5	114.074	F4	C2	Cl6	114.074

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

using model chemistry: HF/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	0.314
2	C	0.314
3	F	-0.247
4	F	-0.247
5	Cl	-0.067
6	Cl	-0.067

	x	y	z
x	6.539	1.972	0.000
y	1.972	8.770	0.000
z	0.000	0.000	3.636

<r²>	139.657
(<r²>)^1/2	11.818