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	hartrees
Energy at 0K	-139.460977
Energy at 298.15K	-139.464015
HF Energy	-139.045917
Nuclear repulsion energy	37.508496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3077	2915	24.72
2	A₁	1540	1459	4.98
3	A₁	1124	1065	86.02
4	E	3162	2996	37.10
4	E	3162	2996	37.10
5	E	1532	1452	1.70
5	E	1532	1452	1.70
6	E	1233	1168	1.45
6	E	1233	1168	1.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.625
F2	0.000	0.000	0.747
H3	0.000	1.030	-0.990
H4	0.892	-0.515	-0.990
H5	-0.892	-0.515	-0.990

	C1	F2	H3	H4	H5
C1		1.3720	1.0928	1.0928	1.0928
F2	1.3720		2.0196	2.0196	2.0196
H3	1.0928	2.0196		1.7839	1.7839
H4	1.0928	2.0196	1.7839		1.7839
H5	1.0928	2.0196	1.7839	1.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.525	F2	C1	H4	109.525
F2	C1	H5	109.525	H3	C1	H4	109.418
H3	C1	H5	109.418	H4	C1	H5	109.418

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

using model chemistry: QCISD/6-31G(2df,p)

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(2df,p)

States and conformations

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