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	hartrees
Energy at 0K	-337.849952
Energy at 298.15K
HF Energy	-336.912304
Nuclear repulsion energy	133.591549

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	3199	3199	22.30	66.04	0.16	0.28
2	A₁	1156	1156	93.95	6.79	0.02	0.03
3	A₁	704	704	12.90	2.07	0.18	0.31
4	E	1415	1415	43.57	1.57	0.75	0.86
4	E	1415	1415	43.57	1.57	0.75	0.86
5	E	1177	1177	296.70	1.94	0.75	0.86
5	E	1177	1177	296.70	1.94	0.75	0.86
6	E	510	510	2.33	0.73	0.75	0.86
6	E	510	510	2.33	0.73	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		1.0858	1.3360	1.3360	1.3360
H2	1.0858		1.9952	1.9952	1.9952
F3	1.3360	1.9952		2.1671	2.1671
F4	1.3360	1.9952	2.1671		2.1671
F5	1.3360	1.9952	2.1671	2.1671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.521	H2	C1	F4	110.521
H2	C1	F5	110.521	F3	C1	F4	108.401
F3	C1	F5	108.401	F4	C1	F5	108.401

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

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

States and conformations

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