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	hartrees
Energy at 0K	-796.673270
Energy at 298.15K
HF Energy	-795.777064
Nuclear repulsion energy	250.936057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1161	1107	523.08
2	A₁	805	767	31.62
3	A₁	489	467	0.14
4	E	1289	1229	335.05
4	E	1289	1229	335.05
5	E	574	548	3.54
5	E	574	548	3.54
6	E	361	344	0.05
6	E	361	344	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.348
Cl2	0.000	0.000	1.407
F3	0.000	1.241	-0.809
F4	1.075	-0.621	-0.809
F5	-1.075	-0.621	-0.809

	C1	Cl2	F3	F4	F5
C1		1.7554	1.3240	1.3240	1.3240
Cl2	1.7554		2.5398	2.5398	2.5398
F3	1.3240	2.5398		2.1502	2.1502
F4	1.3240	2.5398	2.1502		2.1502
F5	1.3240	2.5398	2.1502	2.1502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.344	Cl2	C1	F4	110.344
Cl2	C1	F5	110.344	F3	C1	F4	108.584
F3	C1	F5	108.584	F4	C1	F5	108.584

All results from a given calculation for CF₃Cl (Methane, chlorotrifluoro-)

using model chemistry: CCSD/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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All results from a given calculation for CF3Cl (Methane, chlorotrifluoro-)

using model chemistry: CCSD/6-311G*

States and conformations

All results from a given calculation for CF₃Cl (Methane, chlorotrifluoro-)