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	hartrees
Energy at 0K	-139.541533
Energy at 298.15K	-139.544561
HF Energy	-139.097306
Nuclear repulsion energy	37.309652

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	3087	2942	31.79	164.31	0.02	0.04
2	A₁	1506	1435	1.36	0.43	0.07	0.13
3	A₁	1073	1022	106.07	6.58	0.34	0.51
4	E	3190	3040	21.92	39.89	0.75	0.86
4	E	3190	3040	21.92	39.89	0.75	0.86
5	E	1528	1456	4.93	3.83	0.75	0.86
5	E	1528	1456	4.93	3.83	0.75	0.86
6	E	1210	1153	1.38	1.52	0.75	0.86
6	E	1210	1153	1.38	1.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.636
F2	0.000	0.000	0.752
H3	0.000	1.030	-0.985
H4	0.892	-0.515	-0.985
H5	-0.892	-0.515	-0.985

	C1	F2	H3	H4	H5
C1		1.3884	1.0870	1.0870	1.0870
F2	1.3884		2.0192	2.0192	2.0192
H3	1.0870	2.0192		1.7834	1.7834
H4	1.0870	2.0192	1.7834		1.7834
H5	1.0870	2.0192	1.7834	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.703	F2	C1	H4	108.703
F2	C1	H5	108.703	H3	C1	H4	110.228
H3	C1	H5	110.228	H4	C1	H5	110.228

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

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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