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	hartrees
Energy at 0K	-139.635483
Energy at 298.15K	-139.638515
HF Energy	-139.106362
Nuclear repulsion energy	37.520640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3105	2972	29.44	147.85	0.03	0.05
2	A₁	1513	1448	1.31	1.11	0.32	0.48
3	A₁	1092	1045	100.43	5.03	0.46	0.63
4	E	3207	3069	24.19	42.73	0.75	0.86
4	E	3207	3069	24.19	42.73	0.75	0.86
5	E	1530	1465	4.20	5.65	0.75	0.86
5	E	1530	1465	4.20	5.65	0.75	0.86
6	E	1221	1168	1.16	2.38	0.75	0.86
6	E	1221	1168	1.16	2.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.631
F2	0.000	0.000	0.748
H3	0.000	1.024	-0.983
H4	0.887	-0.512	-0.983
H5	-0.887	-0.512	-0.983

	C1	F2	H3	H4	H5
C1		1.3788	1.0828	1.0828	1.0828
F2	1.3788		2.0111	2.0111	2.0111
H3	1.0828	2.0111		1.7736	1.7736
H4	1.0828	2.0111	1.7736		1.7736
H5	1.0828	2.0111	1.7736	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.970	F2	C1	H4	108.970
F2	C1	H5	108.970	H3	C1	H4	109.968
H3	C1	H5	109.968	H4	C1	H5	109.968

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

using model chemistry: MP2=FULL/cc-pVQZ

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: MP2=FULL/cc-pVQZ

States and conformations

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