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	hartrees
Energy at 0K	-139.570478
Energy at 298.15K	-139.573511
HF Energy	-139.092601
Nuclear repulsion energy	37.478704

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	3106	2928	31.37	143.13	0.02	0.05
2	A₁	1516	1429	1.14	0.44	0.13	0.24
3	A₁	1088	1026	105.11	6.45	0.35	0.52
4	E	3207	3023	22.39	40.80	0.75	0.86
4	E	3207	3023	22.39	40.80	0.75	0.86
5	E	1532	1444	5.53	4.54	0.75	0.86
5	E	1532	1444	5.53	4.54	0.75	0.86
6	E	1225	1155	1.12	1.81	0.75	0.86
6	E	1225	1155	1.12	1.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.632
F2	0.000	0.000	0.748
H3	0.000	1.027	-0.982
H4	0.889	-0.514	-0.982
H5	-0.889	-0.514	-0.982

	C1	F2	H3	H4	H5
C1		1.3799	1.0852	1.0852	1.0852
F2	1.3799		2.0122	2.0122	2.0122
H3	1.0852	2.0122		1.7789	1.7789
H4	1.0852	2.0122	1.7789		1.7789
H5	1.0852	2.0122	1.7789	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.840	F2	C1	H4	108.840
F2	C1	H5	108.840	H3	C1	H4	110.095
H3	C1	H5	110.095	H4	C1	H5	110.095

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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