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	hartrees
Energy at 0K	-139.553918
Energy at 298.15K	-139.556951
HF Energy	-139.097844
Nuclear repulsion energy	37.469175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3087	3087	29.56
2	A₁	1516	1516	1.60
3	A₁	1112	1112	108.16
4	E	3178	3178	25.14
4	E	3178	3178	25.14
5	E	1529	1529	4.94
5	E	1529	1529	4.94
6	E	1222	1222	1.79
6	E	1222	1222	1.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.631
F2	0.000	0.000	0.748
H3	0.000	1.029	-0.982
H4	0.891	-0.515	-0.982
H5	-0.891	-0.515	-0.982

	C1	F2	H3	H4	H5
C1		1.3790	1.0874	1.0874	1.0874
F2	1.3790		2.0132	2.0132	2.0132
H3	1.0874	2.0132		1.7825	1.7825
H4	1.0874	2.0132	1.7825		1.7825
H5	1.0874	2.0132	1.7825	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.846	F2	C1	H4	108.846
F2	C1	H5	108.846	H3	C1	H4	110.089
H3	C1	H5	110.089	H4	C1	H5	110.089

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

using model chemistry: MP3/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 CH3F (Methyl fluoride)

using model chemistry: MP3/daug-cc-pVTZ

States and conformations

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