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	hartrees
Energy at 0K	-1188.450373
Energy at 298.15K	-1188.451088
HF Energy	-1187.853405
Nuclear repulsion energy	349.388259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1885	1754	0.00
2	A_g	1282	1193	0.00
3	A_g	660	614	0.00
4	A_g	443	412	0.00
5	A_g	301	280	0.00
6	A_u	395	367	4.57
7	A_u	150	139	0.40
8	B_g	656	610	0.00
9	B_u	1302	1211	175.17
10	B_u	915	851	154.02
11	B_u	428	399	2.65
12	B_u	185	172	4.10

Atom	x (Å)	y (Å)
C1	-0.061	0.655
C2	0.061	-0.655
F3	-1.280	1.250
F4	1.280	-1.250
Cl5	1.280	1.715
Cl6	-1.280	-1.715

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3160	1.3564	2.3295	1.7088	2.6655
C2	1.3160		2.3295	1.3564	2.6655	1.7088
F3	1.3564	2.3295		3.5779	2.6011	2.9654
F4	2.3295	1.3564	3.5779		2.9654	2.6011
Cl5	1.7088	2.6655	2.6011	2.9654		4.2799
Cl6	2.6655	1.7088	2.9654	2.6011	4.2799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.305	C1	C2	Cl6	123.053
C2	C1	F3	121.305	C2	C1	Cl5	123.053
F3	C1	Cl5	115.643	F4	C2	Cl6	115.643

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

using model chemistry: CID/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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