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	hartrees
Energy at 0K	-337.176061
Energy at 298.15K
HF Energy	-336.737071
Nuclear repulsion energy	126.949632

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	3255	3142	23.35	60.17	0.20	0.33
2	A₁	1010	975	102.78	6.71	0.00	0.00
3	A₁	605	584	20.92	3.39	0.40	0.57
4	E	1346	1299	37.05	4.34	0.75	0.86
4	E	1346	1299	37.05	4.34	0.75	0.86
5	E	1043	1007	277.42	4.03	0.75	0.86
5	E	1043	1007	277.42	4.03	0.75	0.86
6	E	437	421	5.71	2.21	0.75	0.86
6	E	437	421	5.71	2.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.367
H2	0.000	0.000	1.459
F3	0.000	1.318	-0.136
F4	1.141	-0.659	-0.136
F5	-1.141	-0.659	-0.136

	C1	H2	F3	F4	F5
C1		1.0918	1.4103	1.4103	1.4103
H2	1.0918		2.0687	2.0687	2.0687
F3	1.4103	2.0687		2.2820	2.2820
F4	1.4103	2.0687	2.2820		2.2820
F5	1.4103	2.0687	2.2820	2.2820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.901	H2	C1	F4	110.901
H2	C1	F5	110.901	F3	C1	F4	108.005
F3	C1	F5	108.005	F4	C1	F5	108.005

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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