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	hartrees
Energy at 0K	-1194.750710
Energy at 298.15K	-1194.751335
HF Energy	-1193.625298
Nuclear repulsion energy	350.933550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1772	1681	0.00
2	A_g	1232	1169	0.00
3	A_g	651	617	0.00
4	A_g	439	416	0.00
5	A_g	299	283	0.00
6	A_u	375	355	0.82
7	A_u	138	131	0.36
8	B_g	555	526	0.00
9	B_u	1257	1193	310.95
10	B_u	918	871	184.15
11	B_u	439	416	3.46
12	B_u	183	174	2.55

Atom	x (Å)	y (Å)
C1	-0.063	0.666
C2	0.063	-0.666
F3	-1.259	1.243
F4	1.259	-1.243
Cl5	1.259	1.735
Cl6	-1.259	-1.735

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3379	1.3273	2.3220	1.7004	2.6821
C2	1.3379		2.3220	1.3273	2.6821	1.7004
F3	1.3273	2.3220		3.5379	2.5653	2.9779
F4	2.3220	1.3273	3.5379		2.9779	2.5653
Cl5	1.7004	2.6821	2.5653	2.9779		4.2872
Cl6	2.6821	1.7004	2.9779	2.5653	4.2872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.202	C1	C2	Cl6	123.517
C2	C1	F3	121.202	C2	C1	Cl5	123.517
F3	C1	Cl5	115.281	F4	C2	Cl6	115.281

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

using model chemistry: MP2=FULL/6-311G**

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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