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	hartrees
Energy at 0K	-337.572083
Energy at 298.15K
HF Energy	-336.815973
Nuclear repulsion energy	132.687839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3196	3196	23.51
2	A₁	1143	1143	97.95
3	A₁	693	693	14.13
4	E	1406	1406	53.06
4	E	1406	1406	53.06
5	E	1185	1185	278.49
5	E	1185	1185	278.49
6	E	502	502	2.87
6	E	502	502	2.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.342
H2	0.000	0.000	1.439
F3	0.000	1.259	-0.129
F4	1.091	-0.630	-0.129
F5	-1.091	-0.630	-0.129

	C1	H2	F3	F4	F5
C1		1.0973	1.3448	1.3448	1.3448
H2	1.0973		2.0117	2.0117	2.0117
F3	1.3448	2.0117		2.1815	2.1815
F4	1.3448	2.0117	2.1815		2.1815
F5	1.3448	2.0117	2.1815	2.1815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.522	H2	C1	F4	110.522
H2	C1	F5	110.522	F3	C1	F4	108.401
F3	C1	F5	108.401	F4	C1	F5	108.401

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

using model chemistry: CCD/daug-cc-pVDZ

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: CCD/daug-cc-pVDZ

States and conformations

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