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	hartrees
Energy at 0K	-796.954021
Energy at 298.15K
HF Energy	-795.837391
Nuclear repulsion energy	251.899775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1167	1167	475.60
2	A₁	813	813	34.34
3	A₁	491	491	0.03
4	E	1299	1299	290.86
4	E	1299	1299	290.86
5	E	581	581	2.62
5	E	581	581	2.62
6	E	359	359	0.03
6	E	359	359	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.349
Cl2	0.000	0.000	1.403
F3	0.000	1.236	-0.806
F4	1.070	-0.618	-0.806
F5	-1.070	-0.618	-0.806

	C1	Cl2	F3	F4	F5
C1		1.7520	1.3177	1.3177	1.3177
Cl2	1.7520		2.5312	2.5312	2.5312
F3	1.3177	2.5312		2.1406	2.1406
F4	1.3177	2.5312	2.1406		2.1406
F5	1.3177	2.5312	2.1406	2.1406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.296	Cl2	C1	F4	110.296
Cl2	C1	F5	110.296	F3	C1	F4	108.634
F3	C1	F5	108.634	F4	C1	F5	108.634

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

using model chemistry: CCD/cc-pCVTZ

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/cc-pCVTZ

States and conformations

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