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	hartrees
Energy at 0K	-337.686850
Energy at 298.15K
HF Energy	-336.907702
Nuclear repulsion energy	133.366224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3173	3054
2	A₁	1157	1113
3	A₁	710	683
4	E	1442	1388
4	E	1442	1388
5	E	1187	1142
5	E	1187	1142
6	E	516	497
6	E	516	497

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.339
H2	0.000	0.000	1.428
F3	0.000	1.254	-0.128
F4	1.086	-0.627	-0.128
F5	-1.086	-0.627	-0.128

	C1	H2	F3	F4	F5
C1		1.0892	1.3378	1.3378	1.3378
H2	1.0892		1.9983	1.9983	1.9983
F3	1.3378	1.9983		2.1715	2.1715
F4	1.3378	1.9983	2.1715		2.1715
F5	1.3378	1.9983	2.1715	2.1715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.426	H2	C1	F4	110.426
H2	C1	F5	110.426	F3	C1	F4	108.500
F3	C1	F5	108.500	F4	C1	F5	108.500

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

using model chemistry: CCSD(T)/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: CCSD(T)/TZVP

States and conformations

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