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	hartrees
Energy at 0K	-337.918230
Energy at 298.15K
HF Energy	-336.913521
Nuclear repulsion energy	134.484722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3186	3186	25.15
2	A₁	1184	1184	98.88
3	A₁	721	721	14.61
4	E	1444	1444	57.48
4	E	1444	1444	57.48
5	E	1216	1216	277.14
5	E	1216	1216	277.14
6	E	522	522	2.94
6	E	522	522	2.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.338
H2	0.000	0.000	1.422
F3	0.000	1.243	-0.128
F4	1.076	-0.621	-0.128
F5	-1.076	-0.621	-0.128

	C1	H2	F3	F4	F5
C1		1.0846	1.3268	1.3268	1.3268
H2	1.0846		1.9864	1.9864	1.9864
F3	1.3268	1.9864		2.1521	2.1521
F4	1.3268	1.9864	2.1521		2.1521
F5	1.3268	1.9864	2.1521	2.1521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.526	H2	C1	F4	110.526
H2	C1	F5	110.526	F3	C1	F4	108.396
F3	C1	F5	108.396	F4	C1	F5	108.396

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

using model chemistry: CCSD=FULL/daug-cc-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/daug-cc-pVTZ

States and conformations

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