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	hartrees
Energy at 0K	-139.554068
Energy at 298.15K	-139.557102
HF Energy	-139.097508
Nuclear repulsion energy	37.425872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3072	2940	30.40
2	A₁	1517	1452	1.75
3	A₁	1104	1057	108.73
4	E	3162	3026	25.75
4	E	3162	3026	25.75
5	E	1529	1463	4.74
5	E	1529	1463	4.74
6	E	1220	1167	1.84
6	E	1220	1167	1.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.632
F2	0.000	0.000	0.749
H3	0.000	1.030	-0.983
H4	0.892	-0.515	-0.983
H5	-0.892	-0.515	-0.983

	C1	F2	H3	H4	H5
C1		1.3808	1.0885	1.0885	1.0885
F2	1.3808		2.0150	2.0150	2.0150
H3	1.0885	2.0150		1.7848	1.7848
H4	1.0885	2.0150	1.7848		1.7848
H5	1.0885	2.0150	1.7848	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.799	F2	C1	H4	108.799
F2	C1	H5	108.799	H3	C1	H4	110.135
H3	C1	H5	110.135	H4	C1	H5	110.135

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

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

States and conformations

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