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	hartrees
Energy at 0K	-139.226237
Energy at 298.15K	-139.229237
HF Energy	-138.992495
Nuclear repulsion energy	36.094793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3041	2930	17.90
2	A₁	1510	1455	5.18
3	A₁	990	954	53.07
4	E	3133	3019	38.98
4	E	3133	3019	38.98
5	E	1542	1486	2.42
5	E	1542	1486	2.42
6	E	1159	1116	0.51
6	E	1159	1116	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.669
F2	0.000	0.000	0.784
H3	0.000	1.043	-1.013
H4	0.903	-0.521	-1.013
H5	-0.903	-0.521	-1.013

	C1	F2	H3	H4	H5
C1		1.4532	1.0980	1.0980	1.0980
F2	1.4532		2.0776	2.0776	2.0776
H3	1.0980	2.0776		1.8063	1.8063
H4	1.0980	2.0776	1.8063		1.8063
H5	1.0980	2.0776	1.8063	1.8063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.245	F2	C1	H4	108.245
F2	C1	H5	108.245	H3	C1	H4	110.669
H3	C1	H5	110.669	H4	C1	H5	110.669

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

using model chemistry: QCISD/6-31G

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: QCISD/6-31G

States and conformations

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