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	hartrees
Energy at 0K	-139.473183
Energy at 298.15K	-139.476220
HF Energy	-139.095896
Nuclear repulsion energy	37.387721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3089	2928	28.28
2	A₁	1544	1463	7.18
3	A₁	1105	1048	107.16
4	E	3181	3016	37.50
4	E	3181	3016	37.50
5	E	1529	1450	2.12
5	E	1529	1450	2.12
6	E	1236	1172	2.00
6	E	1236	1172	2.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.632
F2	0.000	0.000	0.750
H3	0.000	1.031	-0.985
H4	0.893	-0.515	-0.985
H5	-0.893	-0.515	-0.985

	C1	F2	H3	H4	H5
C1		1.3822	1.0894	1.0894	1.0894
F2	1.3822		2.0176	2.0176	2.0176
H3	1.0894	2.0176		1.7856	1.7856
H4	1.0894	2.0176	1.7856		1.7856
H5	1.0894	2.0176	1.7856	1.7856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.855	F2	C1	H4	108.855
F2	C1	H5	108.855	H3	C1	H4	110.080
H3	C1	H5	110.080	H4	C1	H5	110.080

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

using model chemistry: CCD/TZVP

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/TZVP

States and conformations

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