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	hartrees
Energy at 0K	-1188.153753
Energy at 298.15K	-1188.154135
HF Energy	-1187.621833
Nuclear repulsion energy	339.013393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1828	1777	0.00
2	A_g	1194	1161	0.00
3	A_g	608	591	0.00
4	A_g	386	375	0.00
5	A_g	267	259	0.00
6	A_u	364	354	4.75
7	A_u	135	131	0.02
8	B_g	585	569	0.00
9	B_u	1268	1233	159.87
10	B_u	785	763	121.43
11	B_u	382	372	2.76
12	B_u	165	160	4.07

Atom	x (Å)	y (Å)
C1	-0.092	0.654
C2	0.092	-0.654
F3	-1.319	1.239
F4	1.319	-1.239
Cl5	1.319	1.798
Cl6	-1.319	-1.798

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3218	1.3587	2.3612	1.8160	2.7422
C2	1.3218		2.3612	1.3587	2.7422	1.8160
F3	1.3587	2.3612		3.6187	2.6958	3.0371
F4	2.3612	1.3587	3.6187		3.0371	2.6958
Cl5	1.8160	2.7422	2.6958	3.0371		4.4596
Cl6	2.7422	1.8160	3.0371	2.6958	4.4596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.489	C1	C2	Cl6	121.028
C2	C1	F3	123.489	C2	C1	Cl5	121.028
F3	C1	Cl5	115.483	F4	C2	Cl6	115.483

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

using model chemistry: CCD/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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