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	hartrees
Energy at 0K	-138.508840
Energy at 298.15K	-138.511865
HF Energy	-138.280657
Nuclear repulsion energy	36.452941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3029	2936	18.29
2	A₁	1563	1515	7.59
3	A₁	1055	1023	38.30
4	E	3087	2992	48.29
4	E	3087	2992	48.29
5	E	1581	1532	1.12
5	E	1581	1532	1.12
6	E	1196	1159	0.37
6	E	1196	1159	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.652
F2	0.000	0.000	0.776
H3	0.000	1.033	-1.025
H4	0.894	-0.516	-1.025
H5	-0.894	-0.516	-1.025

	C1	F2	H3	H4	H5
C1		1.4283	1.0978	1.0978	1.0978
F2	1.4283		2.0759	2.0759	2.0759
H3	1.0978	2.0759		1.7887	1.7887
H4	1.0978	2.0759	1.7887		1.7887
H5	1.0978	2.0759	1.7887	1.7887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.832	F2	C1	H4	109.832
F2	C1	H5	109.832	H3	C1	H4	109.108
H3	C1	H5	109.108	H4	C1	H5	109.108

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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