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	hartrees
Energy at 0K	-337.660507
Energy at 298.15K
HF Energy	-336.908670
Nuclear repulsion energy	133.984518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2147	2036	27.01
2	A₁	609	578	112.61
3	A₁	241i	229i	0.04
4	E	1708	1619	237.56
4	E	1708	1619	237.56
5	E	780	740	29.48
5	E	780	740	29.48
6	E	1203i	1141i	78.72
6	E	1203i	1141i	78.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.337
H2	0.000	0.000	1.424
F3	0.000	1.248	-0.128
F4	1.081	-0.624	-0.128
F5	-1.081	-0.624	-0.128

	C1	H2	F3	F4	F5
C1		1.0872	1.3313	1.3313	1.3313
H2	1.0872		1.9909	1.9909	1.9909
F3	1.3313	1.9909		2.1613	2.1613
F4	1.3313	1.9909	2.1613		2.1613
F5	1.3313	1.9909	2.1613	2.1613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.401	H2	C1	F4	110.401
H2	C1	F5	110.401	F3	C1	F4	108.525
F3	C1	F5	108.525	F4	C1	F5	108.525

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

using model chemistry: CCD/TZVP

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/TZVP

States and conformations

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