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	hartrees
Energy at 0K	-139.451135
Energy at 298.15K	-139.454175
HF Energy	-139.046072
Nuclear repulsion energy	37.592035

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	3110	2923	24.54	101.44	0.03	0.07
2	A₁	1542	1449	4.35	3.32	0.70	0.82
3	A₁	1132	1064	83.40	4.40	0.42	0.59
4	E	3208	3015	31.85	45.90	0.75	0.86
4	E	3208	3015	31.85	45.90	0.75	0.86
5	E	1548	1455	2.18	12.96	0.75	0.86
5	E	1548	1455	2.18	12.96	0.75	0.86
6	E	1238	1164	1.04	4.38	0.75	0.86
6	E	1238	1164	1.04	4.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.624
F2	0.000	0.000	0.746
H3	0.000	1.026	-0.990
H4	0.888	-0.513	-0.990
H5	-0.888	-0.513	-0.990

	C1	F2	H3	H4	H5
C1		1.3694	1.0892	1.0892	1.0892
F2	1.3694		2.0165	2.0165	2.0165
H3	1.0892	2.0165		1.7763	1.7763
H4	1.0892	2.0165	1.7763		1.7763
H5	1.0892	2.0165	1.7763	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.686	F2	C1	H4	109.686
F2	C1	H5	109.686	H3	C1	H4	109.256
H3	C1	H5	109.256	H4	C1	H5	109.256

All results from a given calculation for CH₃F (Methyl fluoride)

using model chemistry: MP2=FULL/6-31G(2df,p)

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 CH3F (Methyl fluoride)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃F (Methyl fluoride)