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	hartrees
Energy at 0K	-1194.386265
Energy at 298.15K	-1194.386859
HF Energy	-1193.505631
Nuclear repulsion energy	349.646149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1837	1723	0.00
2	A_g	1271	1192	0.00
3	A_g	653	613	0.00
4	A_g	437	410	0.00
5	A_g	297	278	0.00
6	A_u	374	350	2.74
7	A_u	138	129	0.17
8	B_g	544	510	0.00
9	B_u	1284	1204	268.23
10	B_u	922	864	158.15
11	B_u	435	408	4.23
12	B_u	181	170	2.61

Atom	x (Å)	y (Å)
C1	-0.058	0.663
C2	0.058	-0.663
F3	-1.262	1.243
F4	1.262	-1.243
Cl5	1.262	1.746
Cl6	-1.262	-1.746

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3319	1.3366	2.3191	1.7076	2.6939
C2	1.3319		2.3191	1.3366	2.6939	1.7076
F3	1.3366	2.3191		3.5434	2.5746	2.9892
F4	2.3191	1.3366	3.5434		2.9892	2.5746
Cl5	1.7076	2.6939	2.5746	2.9892		4.3095
Cl6	2.6939	1.7076	2.9892	2.5746	4.3095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.692	C1	C2	Cl6	124.356
C2	C1	F3	120.692	C2	C1	Cl5	124.356
F3	C1	Cl5	114.952	F4	C2	Cl6	114.952

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

using model chemistry: CCD/6-31G**

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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