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	hartrees
Energy at 0K	-337.858567
Energy at 298.15K	-337.861091
Nuclear repulsion energy	133.449904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3162	3065
2	A₁	1148	1112
3	A₁	702	681
4	E	1414	1370
4	E	1413	1370
5	E	1186	1149
5	E	1185	1149
6	E	510	494
6	E	509	494

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.338
H2	0.000	0.000	1.425
F3	0.000	1.253	-0.128
F4	1.085	-0.627	-0.128
F5	-1.085	-0.627	-0.128

	C1	H2	F3	F4	F5
C1		1.0873	1.3368	1.3368	1.3368
H2	1.0873		1.9955	1.9955	1.9955
F3	1.3368	1.9955		2.1704	2.1704
F4	1.3368	1.9955	2.1704		2.1704
F5	1.3368	1.9955	2.1704	2.1704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.389	H2	C1	F4	110.389
H2	C1	F5	110.389	F3	C1	F4	108.538
F3	C1	F5	108.538	F4	C1	F5	108.538

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

using model chemistry: MP4/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: MP4/cc-pVTZ

States and conformations

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