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	hartrees
Energy at 0K	-139.542235
Energy at 298.15K	-139.545272
HF Energy	-139.094673
Nuclear repulsion energy	37.528844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3071	2868	28.23
2	A₁	1521	1420	3.19
3	A₁	1126	1051	100.50
4	E	3159	2949	33.81
4	E	3159	2949	33.81
5	E	1525	1424	2.96
5	E	1525	1424	2.96
6	E	1226	1144	1.70
6	E	1226	1144	1.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.628
F2	0.000	0.000	0.747
H3	0.000	1.028	-0.985
H4	0.890	-0.514	-0.985
H5	-0.890	-0.514	-0.985

	C1	F2	H3	H4	H5
C1		1.3744	1.0883	1.0883	1.0883
F2	1.3744		2.0141	2.0141	2.0141
H3	1.0883	2.0141		1.7803	1.7803
H4	1.0883	2.0141	1.7803		1.7803
H5	1.0883	2.0141	1.7803	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.185	F2	C1	H4	109.185
F2	C1	H5	109.185	H3	C1	H4	109.756
H3	C1	H5	109.756	H4	C1	H5	109.756

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

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

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