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	hartrees
Energy at 0K	-139.468105
Energy at 298.15K	-139.471149
HF Energy	-139.046186
Nuclear repulsion energy	37.678619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3115	3115	22.36
2	A₁	1550	1550	4.26
3	A₁	1153	1153	86.74
4	E	3204	3204	32.98
4	E	3204	3204	32.98
5	E	1552	1552	2.30
5	E	1552	1552	2.30
6	E	1246	1246	1.39
6	E	1246	1246	1.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.621
F2	0.000	0.000	0.743
H3	0.000	1.026	-0.988
H4	0.888	-0.513	-0.988
H5	-0.888	-0.513	-0.988

	C1	F2	H3	H4	H5
C1		1.3648	1.0891	1.0891	1.0891
F2	1.3648		2.0121	2.0121	2.0121
H3	1.0891	2.0121		1.7764	1.7764
H4	1.0891	2.0121	1.7764		1.7764
H5	1.0891	2.0121	1.7764	1.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.656	F2	C1	H4	109.656
F2	C1	H5	109.656	H3	C1	H4	109.286
H3	C1	H5	109.286	H4	C1	H5	109.286

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

using model chemistry: MP3=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: MP3=FULL/6-31G(2df,p)

States and conformations

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