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	hartrees
Energy at 0K	-1194.235421
Energy at 298.15K	-1194.236154
HF Energy	-1193.507197
Nuclear repulsion energy	352.150147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1921	1774	0.00
2	A_g	1317	1217	0.00
3	A_g	681	629	0.00
4	A_g	454	420	0.00
5	A_g	307	284	0.00
6	A_u	398	368	3.24
7	A_u	145	134	0.18
8	B_g	604	558	0.00
9	B_u	1329	1227	305.53
10	B_u	954	882	177.95
11	B_u	450	415	4.06
12	B_u	188	173	2.76

Atom	x (Å)	y (Å)
C1	-0.059	0.657
C2	0.059	-0.657
F3	-1.252	1.232
F4	1.252	-1.232
Cl5	1.252	1.738
Cl6	-1.252	-1.738

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3188	1.3242	2.2996	1.6994	2.6751
C2	1.3188		2.2996	1.3242	2.6751	1.6994
F3	1.3242	2.2996		3.5134	2.5541	2.9704
F4	2.2996	1.3242	3.5134		2.9704	2.5541
Cl5	1.6994	2.6751	2.5541	2.9704		4.2836
Cl6	2.6751	1.6994	2.9704	2.5541	4.2836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.934	C1	C2	Cl6	124.351
C2	C1	F3	120.934	C2	C1	Cl5	124.351
F3	C1	Cl5	114.715	F4	C2	Cl6	114.715

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

using model chemistry: CID/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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