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	hartrees
Energy at 0K	-139.435005
Energy at 298.15K	-139.438026
HF Energy	-139.056739
Nuclear repulsion energy	36.929720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3068	2959	30.65
2	A₁	1480	1427	1.91
3	A₁	1065	1027	107.68
4	E	3167	3055	27.82
4	E	3167	3055	27.82
5	E	1489	1436	3.84
5	E	1489	1436	3.84
6	E	1193	1151	1.88
6	E	1193	1151	1.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.643
F2	0.000	0.000	0.759
H3	0.000	1.044	-0.992
H4	0.904	-0.522	-0.992
H5	-0.904	-0.522	-0.992

	C1	F2	H3	H4	H5
C1		1.4014	1.1010	1.1010	1.1010
F2	1.4014		2.0383	2.0383	2.0383
H3	1.1010	2.0383		1.8085	1.8085
H4	1.1010	2.0383	1.8085		1.8085
H5	1.1010	2.0383	1.8085	1.8085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.486	F2	C1	H4	108.486
F2	C1	H5	108.486	H3	C1	H4	110.438
H3	C1	H5	110.438	H4	C1	H5	110.438

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

using model chemistry: CCD/aug-cc-pVDZ

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-pVDZ

States and conformations

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