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	hartrees
Energy at 0K	-337.675169
Energy at 298.15K
HF Energy	-336.884033
Nuclear repulsion energy	133.476744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3156	23.98
2	A₁	1156	1156	97.68
3	A₁	709	709	14.11
4	E	1399	1399	59.72
4	E	1399	1399	59.72
5	E	1194	1194	273.22
5	E	1194	1194	273.22
6	E	513	513	2.94
6	E	513	513	2.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.341
H2	0.000	0.000	1.441
F3	0.000	1.251	-0.129
F4	1.084	-0.626	-0.129
F5	-1.084	-0.626	-0.129

	C1	H2	F3	F4	F5
C1		1.1000	1.3366	1.3366	1.3366
H2	1.1000		2.0077	2.0077	2.0077
F3	1.3366	2.0077		2.1671	2.1671
F4	1.3366	2.0077	2.1671		2.1671
F5	1.3366	2.0077	2.1671	2.1671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.595	H2	C1	F4	110.595
H2	C1	F5	110.595	F3	C1	F4	108.324
F3	C1	F5	108.324	F4	C1	F5	108.324

All results from a given calculation for CHF₃ (Methane, trifluoro-)

using model chemistry: CCSD=FULL/Sadlej_pVTZ

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 CHF3 (Methane, trifluoro-)

using model chemistry: CCSD=FULL/Sadlej_pVTZ

States and conformations

All results from a given calculation for CHF₃ (Methane, trifluoro-)