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	hartrees
Energy at 0K	-138.495310
Energy at 298.15K	-138.498341
HF Energy	-138.281144
Nuclear repulsion energy	36.594150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3085	2883	16.71
2	A₁	1584	1480	7.23
3	A₁	1077	1007	42.88
4	E	3143	2937	47.29
4	E	3143	2937	47.29
5	E	1603	1498	1.36
5	E	1603	1498	1.36
6	E	1213	1133	0.44
6	E	1213	1133	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.650
F2	0.000	0.000	0.773
H3	0.000	1.029	-1.020
H4	0.891	-0.515	-1.020
H5	-0.891	-0.515	-1.020

	C1	F2	H3	H4	H5
C1		1.4230	1.0935	1.0935	1.0935
F2	1.4230		2.0671	2.0671	2.0671
H3	1.0935	2.0671		1.7825	1.7825
H4	1.0935	2.0671	1.7825		1.7825
H5	1.0935	2.0671	1.7825	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.762	F2	C1	H4	109.762
F2	C1	H5	109.762	H3	C1	H4	109.178
H3	C1	H5	109.178	H4	C1	H5	109.178

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

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

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