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	hartrees
Energy at 0K	-1194.613208
Energy at 298.15K	-1194.613755
HF Energy	-1193.658456
Nuclear repulsion energy	349.849160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1764	1672	0.00
2	A_g	1214	1151	0.00
3	A_g	647	613	0.00
4	A_g	434	411	0.00
5	A_g	296	281	0.00
6	A_u	356	338	0.61
7	A_u	133	126	0.43
8	B_g	517	490	0.00
9	B_u	1243	1179	315.15
10	B_u	903	856	178.64
11	B_u	434	411	3.55
12	B_u	180	171	2.27

Atom	x (Å)	y (Å)
C1	-0.062	0.664
C2	0.062	-0.664
F3	-1.261	1.239
F4	1.261	-1.239
Cl5	1.261	1.748
Cl6	-1.261	-1.748

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3337	1.3300	2.3177	1.7104	2.6934
C2	1.3337		2.3177	1.3300	2.6934	1.7104
F3	1.3300	2.3177		3.5359	2.5735	2.9864
F4	2.3177	1.3300	3.5359		2.9864	2.5735
Cl5	1.7104	2.6934	2.5735	2.9864		4.3106
Cl6	2.6934	1.7104	2.9864	2.5735	4.3106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.941	C1	C2	Cl6	123.979
C2	C1	F3	120.941	C2	C1	Cl5	123.979
F3	C1	Cl5	115.080	F4	C2	Cl6	115.080

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

using model chemistry: MP2/TZVP

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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