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	hartrees
Energy at 0K	-1518.531440
Energy at 298.15K	-1518.532291
HF Energy	-1518.531440
Nuclear repulsion energy	365.278910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1127	1088	175.44
2	A₁	523	505	3.70
3	A₁	338	327	0.00
4	E	801	773	282.90
4	E	801	773	282.89
5	E	389	375	0.41
5	E	389	375	0.41
6	E	234	226	0.01
6	E	234	226	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.258
F2	0.000	0.000	1.590
Cl3	0.000	1.685	-0.311
Cl4	1.460	-0.843	-0.311
Cl5	-1.460	-0.843	-0.311

	C1	F2	Cl3	Cl4	Cl5
C1		1.3316	1.7789	1.7789	1.7789
F2	1.3316		2.5403	2.5403	2.5403
Cl3	1.7789	2.5403		2.9192	2.9192
Cl4	1.7789	2.5403	2.9192		2.9192
Cl5	1.7789	2.5403	2.9192	2.9192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.657	F2	C1	Cl4	108.657
F2	C1	Cl5	108.657	Cl3	C1	Cl4	110.273
Cl3	C1	Cl5	110.273	Cl4	C1	Cl5	110.273

All results from a given calculation for CFCl₃ (Trichloromonofluoromethane)

using model chemistry: TPSSh/6-31G(2df,p)

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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All results from a given calculation for CFCl3 (Trichloromonofluoromethane)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for CFCl₃ (Trichloromonofluoromethane)