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	hartrees
Energy at 0K	-1193.814547
Energy at 298.15K	-1193.815055
HF Energy	-1193.358786
Nuclear repulsion energy	340.721097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1874	1753	0.00
2	A_g	1216	1138	0.00
3	A_g	622	582	0.00
4	A_g	415	389	0.00
5	A_g	282	264	0.00
6	A_u	368	344	6.72
7	A_u	137	128	0.40
8	B_g	591	553	0.00
9	B_u	1231	1151	201.56
10	B_u	859	804	131.56
11	B_u	410	383	5.51
12	B_u	176	165	3.87

Atom	x (Å)	y (Å)
C1	-0.057	0.659
C2	0.057	-0.659
F3	-1.295	1.255
F4	1.295	-1.255
Cl5	1.295	1.806
Cl6	-1.295	-1.806

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3238	1.3738	2.3443	1.7730	2.7586
C2	1.3238		2.3443	1.3738	2.7586	1.7730
F3	1.3738	2.3443		3.6074	2.6482	3.0612
F4	2.3443	1.3738	3.6074		3.0612	2.6482
Cl5	1.7730	2.7586	2.6482	3.0612		4.4446
Cl6	2.7586	1.7730	3.0612	2.6482	4.4446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.679	C1	C2	Cl6	125.317
C2	C1	F3	120.679	C2	C1	Cl5	125.317
F3	C1	Cl5	114.004	F4	C2	Cl6	114.004

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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