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	hartrees
Energy at 0K	-1190.308855
Energy at 298.15K	-1190.309245
HF Energy	-1190.308855
Nuclear repulsion energy	341.460750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1826	1762	0.00
2	A_g	1166	1125	0.00
3	A_g	615	593	0.00
4	A_g	388	375	0.00
5	A_g	270	261	0.00
6	A_u	363	350	1.49
7	A_u	133	128	0.00
8	B_g	586	565	0.00
9	B_u	1275	1230	210.04
10	B_u	778	751	177.30
11	B_u	385	371	0.49
12	B_u	166	160	4.33

Atom	x (Å)	y (Å)
C1	-0.101	0.651
C2	0.101	-0.651
F3	-1.313	1.236
F4	1.313	-1.236
Cl5	1.313	1.775
Cl6	-1.313	-1.775

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3181	1.3457	2.3581	1.8059	2.7118
C2	1.3181		2.3581	1.3457	2.7118	1.8059
F3	1.3457	2.3581		3.6063	2.6809	3.0103
F4	2.3581	1.3457	3.6063		3.0103	2.6809
Cl5	1.8059	2.7118	2.6809	3.0103		4.4151
Cl6	2.7118	1.8059	3.0103	2.6809	4.4151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	124.554	C1	C2	Cl6	119.651
C2	C1	F3	124.554	C2	C1	Cl5	119.651
F3	C1	Cl5	115.795	F4	C2	Cl6	115.795

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

using model chemistry: B3LYP/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	0.069
2	C	0.069
3	F	-0.217
4	F	-0.217
5	Cl	0.148
6	Cl	0.148

	x	y	z
x	6.615	2.578	0.000
y	2.578	8.039	0.000
z	0.000	0.000	1.816

<r²>	258.605
(<r²>)^1/2	16.081