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	hartrees
Energy at 0K	-338.081889
Energy at 298.15K
HF Energy	-336.913077
Nuclear repulsion energy	134.266796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3188	23.89
2	A₁	1176	1176	98.61
3	A₁	717	717	14.58
4	E	1433	1433	55.36
4	E	1433	1433	55.36
5	E	1212	1212	278.28
5	E	1212	1212	278.28
6	E	520	520	2.95
6	E	520	520	2.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.338
H2	0.000	0.000	1.423
F3	0.000	1.245	-0.128
F4	1.078	-0.622	-0.128
F5	-1.078	-0.622	-0.128

	C1	H2	F3	F4	F5
C1		1.0852	1.3289	1.3289	1.3289
H2	1.0852		1.9885	1.9885	1.9885
F3	1.3289	1.9885		2.1558	2.1558
F4	1.3289	1.9885	2.1558		2.1558
F5	1.3289	1.9885	2.1558	2.1558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.512	H2	C1	F4	110.512
H2	C1	F5	110.512	F3	C1	F4	108.411
F3	C1	F5	108.411	F4	C1	F5	108.411

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

using model chemistry: CCSD=FULL/aug-cc-pCVTZ

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/aug-cc-pCVTZ

States and conformations

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