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	hartrees
Energy at 0K	-1195.446989
Energy at 298.15K
HF Energy	-1195.267433
Nuclear repulsion energy	339.850799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1783	1783	0.00
2	A_g	1151	1151	0.00
3	A_g	599	599	0.00
4	A_g	400	400	0.00
5	A_g	274	274	0.00
6	A_u	348	348	3.37
7	A_u	130	130	0.25
8	B_g	541	541	0.00
9	B_u	1184	1184	212.66
10	B_u	822	822	156.01
11	B_u	396	396	2.83
12	B_u	170	170	3.56

Atom	x (Å)	y (Å)
C1	-0.064	0.663
C2	0.064	-0.663
F3	-1.302	1.261
F4	1.302	-1.261
Cl5	1.302	1.802
Cl6	-1.302	-1.802

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3321	1.3753	2.3595	1.7788	2.7587
C2	1.3321		2.3595	1.3753	2.7587	1.7788
F3	1.3753	2.3595		3.6253	2.6604	3.0628
F4	2.3595	1.3753	3.6253		3.0628	2.6604
Cl5	1.7788	2.7587	2.6604	3.0628		4.4468
Cl6	2.7587	1.7788	3.0628	2.6604	4.4468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.265	C1	C2	Cl6	124.319
C2	C1	F3	121.265	C2	C1	Cl5	124.319
F3	C1	Cl5	114.417	F4	C2	Cl6	114.417

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

using model chemistry: B2PLYP=FULLultrafine/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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