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	hartrees
Energy at 0K	-337.846364
Energy at 298.15K
HF Energy	-336.911255
Nuclear repulsion energy	133.581054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3200	3049	22.03	67.05	0.16	0.28
2	A₁	1155	1100	93.82	6.41	0.02	0.03
3	A₁	703	670	13.00	2.05	0.19	0.32
4	E	1413	1347	43.07	1.55	0.75	0.86
4	E	1413	1347	43.07	1.55	0.75	0.86
5	E	1176	1120	296.61	2.01	0.75	0.86
5	E	1176	1120	296.61	2.01	0.75	0.86
6	E	509	485	2.36	0.75	0.75	0.86
6	E	509	485	2.36	0.75	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.340
H2	0.000	0.000	1.426
F3	0.000	1.251	-0.128
F4	1.084	-0.626	-0.128
F5	-1.084	-0.626	-0.128

	C1	H2	F3	F4	F5
C1		1.0856	1.3361	1.3361	1.3361
H2	1.0856		1.9951	1.9951	1.9951
F3	1.3361	1.9951		2.1673	2.1673
F4	1.3361	1.9951	2.1673		2.1673
F5	1.3361	1.9951	2.1673	2.1673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.517	H2	C1	F4	110.517
H2	C1	F5	110.517	F3	C1	F4	108.405
F3	C1	F5	108.405	F4	C1	F5	108.405

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

using model chemistry: MP2/aug-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: MP2/aug-cc-pVTZ

States and conformations

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