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	hartrees
Energy at 0K	-139.098181
Energy at 298.15K	-139.101239
HF Energy	-139.098181
Nuclear repulsion energy	37.866355

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	3182	2879	38.42	168.48	0.02	0.05
2	A₁	1614	1460	2.79	0.47	0.09	0.16
3	A₁	1164	1053	144.93	5.81	0.43	0.61
4	E	3259	2948	42.83	42.95	0.75	0.86
4	E	3259	2948	42.83	42.95	0.75	0.86
5	E	1618	1463	4.62	3.68	0.75	0.86
5	E	1618	1463	4.62	3.68	0.75	0.86
6	E	1304	1180	3.48	1.52	0.75	0.86
6	E	1304	1180	3.48	1.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.622
F2	0.000	0.000	0.739
H3	0.000	1.023	-0.972
H4	0.886	-0.511	-0.972
H5	-0.886	-0.511	-0.972

	C1	F2	H3	H4	H5
C1		1.3614	1.0809	1.0809	1.0809
F2	1.3614		1.9934	1.9934	1.9934
H3	1.0809	1.9934		1.7715	1.7715
H4	1.0809	1.9934	1.7715		1.7715
H5	1.0809	1.9934	1.7715	1.7715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.875	F2	C1	H4	108.875
F2	C1	H5	108.875	H3	C1	H4	110.061
H3	C1	H5	110.061	H4	C1	H5	110.061

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

using model chemistry: HF/daug-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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Number	Element	Mulliken
1	C	-0.806
2	F	-0.819
3	H	0.541
4	H	0.541
5	H	0.541

	x	y	z	Total
	0.000	0.000	-1.940	1.940
CHELPG
AIM
ESP

<r²>	20.722
(<r²>)^1/2	4.552

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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