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	hartrees
Energy at 0K	-139.557392
Energy at 298.15K	-139.560428
HF Energy	-139.094689
Nuclear repulsion energy	37.523267

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	3108	2950	29.11	140.95	0.03	0.06
2	A₁	1522	1445	2.60	1.79	0.53	0.69
3	A₁	1106	1050	96.15	4.60	0.53	0.69
4	E	3191	3030	29.51	46.51	0.75	0.86
4	E	3191	3030	29.51	46.51	0.75	0.86
5	E	1537	1460	3.21	7.83	0.75	0.86
5	E	1537	1460	3.21	7.83	0.75	0.86
6	E	1223	1161	1.20	3.27	0.75	0.86
6	E	1223	1161	1.20	3.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.630
F2	0.000	0.000	0.748
H3	0.000	1.023	-0.985
H4	0.886	-0.512	-0.985
H5	-0.886	-0.512	-0.985

	C1	F2	H3	H4	H5
C1		1.3779	1.0835	1.0835	1.0835
F2	1.3779		2.0131	2.0131	2.0131
H3	1.0835	2.0131		1.7727	1.7727
H4	1.0835	2.0131	1.7727		1.7727
H5	1.0835	2.0131	1.7727	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.159	F2	C1	H4	109.159
F2	C1	H5	109.159	H3	C1	H4	109.781
H3	C1	H5	109.781	H4	C1	H5	109.781

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

using model chemistry: MP2=FULL/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=FULL/cc-pVTZ

States and conformations

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