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	hartrees
Energy at 0K	-87.869191
Energy at 298.15K	-87.869868
HF Energy	-87.869191
Nuclear repulsion energy	118.498185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1927	1758	0.00
2	A_g	1248	1139	0.00
3	A_g	649	592	0.00
4	A_g	437	399	0.00
5	A_g	293	267	0.00
6	A_u	387	353	5.96
7	A_u	144	132	0.46
8	B_g	619	564	0.00
9	B_u	1259	1149	299.24
10	B_u	912	832	153.27
11	B_u	426	389	9.20
12	B_u	181	165	3.91

Atom	x (Å)	y (Å)
C1	-0.057	0.658
C2	0.057	-0.658
F3	-1.281	1.250
F4	1.281	-1.250
Cl5	1.281	1.798
Cl6	-1.281	-1.798

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3211	1.3596	2.3304	1.7580	2.7443
C2	1.3211		2.3304	1.3596	2.7443	1.7580
F3	1.3596	2.3304		3.5796	2.6204	3.0478
F4	2.3304	1.3596	3.5796		3.0478	2.6204
Cl5	1.7580	2.7443	2.6204	3.0478		4.4156
Cl6	2.7443	1.7580	3.0478	2.6204	4.4156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.755	C1	C2	Cl6	125.465
C2	C1	F3	120.755	C2	C1	Cl5	125.465
F3	C1	Cl5	113.780	F4	C2	Cl6	113.780

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	0.110
2	C	0.110
3	F	-0.232
4	F	-0.232
5	Cl	0.122
6	Cl	0.122

	x	y	z
x	6.461	2.310	0.000
y	2.310	8.432	0.000
z	0.000	0.000	2.569

<r²>	145.799
(<r²>)^1/2	12.075