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	hartrees
Energy at 0K	-138.503089
Energy at 298.15K	-138.506119
HF Energy	-138.281099
Nuclear repulsion energy	36.591188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3077	3077	16.54
2	A₁	1579	1579	6.54
3	A₁	1081	1081	40.34
4	E	3138	3138	46.35
4	E	3138	3138	46.35
5	E	1599	1599	1.37
5	E	1599	1599	1.37
6	E	1209	1209	0.46
6	E	1209	1209	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.649
F2	0.000	0.000	0.773
H3	0.000	1.030	-1.020
H4	0.892	-0.515	-1.020
H5	-0.892	-0.515	-1.020

	C1	F2	H3	H4	H5
C1		1.4225	1.0944	1.0944	1.0944
F2	1.4225		2.0678	2.0678	2.0678
H3	1.0944	2.0678		1.7836	1.7836
H4	1.0944	2.0678	1.7836		1.7836
H5	1.0944	2.0678	1.7836	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.794	F2	C1	H4	109.794
F2	C1	H5	109.794	H3	C1	H4	109.147
H3	C1	H5	109.147	H4	C1	H5	109.147

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

using model chemistry: MP3=FULL/3-21G*

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: MP3=FULL/3-21G*

States and conformations

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