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	hartrees
Energy at 0K	-796.925639
Energy at 298.15K
HF Energy	-795.823231
Nuclear repulsion energy	252.230813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1168	1101	467.33
2	A₁	814	768	29.41
3	A₁	496	468	0.23
4	E	1284	1211	277.68
4	E	1284	1211	277.68
5	E	579	546	1.99
5	E	579	546	1.99
6	E	360	340	0.00
6	E	360	340	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.347
Cl2	0.000	0.000	1.400
F3	0.000	1.235	-0.805
F4	1.069	-0.617	-0.805
F5	-1.069	-0.617	-0.805

	C1	Cl2	F3	F4	F5
C1		1.7475	1.3168	1.3168	1.3168
Cl2	1.7475		2.5271	2.5271	2.5271
F3	1.3168	2.5271		2.1387	2.1387
F4	1.3168	2.5271	2.1387		2.1387
F5	1.3168	2.5271	2.1387	2.1387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.328	Cl2	C1	F4	110.328
Cl2	C1	F5	110.328	F3	C1	F4	108.601
F3	C1	F5	108.601	F4	C1	F5	108.601

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

using model chemistry: CCD/6-311+G(3df,2p)

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: CCD/6-311+G(3df,2p)

States and conformations

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