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	hartrees
Energy at 0K	-337.863062
Energy at 298.15K
HF Energy	-336.912125
Nuclear repulsion energy	133.604955

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	3200	21.93	67.12	0.16	0.28
2	A₁	1154	1154	93.91	6.39	0.02	0.03
3	A₁	703	703	12.94	2.06	0.19	0.32
4	E	1413	1413	42.54	1.55	0.75	0.86
4	E	1413	1413	42.54	1.55	0.75	0.86
5	E	1175	1175	297.20	2.01	0.75	0.86
5	E	1175	1175	297.20	2.01	0.75	0.86
6	E	510	510	2.34	0.75	0.75	0.86
6	E	510	510	2.34	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	1.425
F3	0.000	1.251	-0.128
F4	1.083	-0.626	-0.128
F5	-1.083	-0.626	-0.128

	C1	H2	F3	F4	F5
C1		1.0856	1.3358	1.3358	1.3358
H2	1.0856		1.9947	1.9947	1.9947
F3	1.3358	1.9947		2.1670	2.1670
F4	1.3358	1.9947	2.1670		2.1670
F5	1.3358	1.9947	2.1670	2.1670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.511	H2	C1	F4	110.511
H2	C1	F5	110.511	F3	C1	F4	108.412
F3	C1	F5	108.412	F4	C1	F5	108.412

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

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

States and conformations

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