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	hartrees
Energy at 0K	-337.607163
Energy at 298.15K
HF Energy	-336.884134
Nuclear repulsion energy	133.549820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	3155	24.10
2	A₁	1161	1161	100.26
3	A₁	711	711	14.64
4	E	1405	1405	62.90
4	E	1405	1405	62.90
5	E	1203	1203	269.30
5	E	1203	1203	269.30
6	E	515	515	3.09
6	E	515	515	3.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.341
H2	0.000	0.000	1.441
F3	0.000	1.250	-0.129
F4	1.083	-0.625	-0.129
F5	-1.083	-0.625	-0.129

	C1	H2	F3	F4	F5
C1		1.1009	1.3358	1.3358	1.3358
H2	1.1009		2.0075	2.0075	2.0075
F3	1.3358	2.0075		2.1659	2.1659
F4	1.3358	2.0075	2.1659		2.1659
F5	1.3358	2.0075	2.1659	2.1659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.583	H2	C1	F4	110.583
H2	C1	F5	110.583	F3	C1	F4	108.337
F3	C1	F5	108.337	F4	C1	F5	108.337

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

using model chemistry: CCD/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: CCD/Sadlej_pVTZ

States and conformations

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