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	hartrees
Energy at 0K	-139.469567
Energy at 298.15K	-139.472606
HF Energy	-139.095994
Nuclear repulsion energy	37.441710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3106	2905	27.62
2	A₁	1547	1447	6.62
3	A₁	1114	1042	107.32
4	E	3200	2992	36.74
4	E	3200	2992	36.74
5	E	1532	1432	2.34
5	E	1532	1432	2.34
6	E	1240	1159	1.96
6	E	1240	1159	1.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.631
F2	0.000	0.000	0.749
H3	0.000	1.029	-0.984
H4	0.892	-0.515	-0.984
H5	-0.892	-0.515	-0.984

	C1	F2	H3	H4	H5
C1		1.3800	1.0881	1.0881	1.0881
F2	1.3800		2.0152	2.0152	2.0152
H3	1.0881	2.0152		1.7831	1.7831
H4	1.0881	2.0152	1.7831		1.7831
H5	1.0881	2.0152	1.7831	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.898	F2	C1	H4	108.898
F2	C1	H5	108.898	H3	C1	H4	110.039
H3	C1	H5	110.039	H4	C1	H5	110.039

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

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

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