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	hartrees
Energy at 0K	-139.744160
Energy at 298.15K	-139.747187
HF Energy	-139.744160
Nuclear repulsion energy	37.379934

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	3013	2908	31.13	119.40	0.03	0.07
2	A₁	1513	1460	5.47	3.90	0.65	0.79
3	A₁	1091	1053	88.14	3.82	0.49	0.66
4	E	3092	2983	51.13	55.78	0.75	0.86
4	E	3092	2983	51.14	55.78	0.75	0.86
5	E	1510	1457	1.13	13.71	0.75	0.86
5	E	1510	1457	1.13	13.71	0.75	0.86
6	E	1208	1165	1.17	5.38	0.75	0.86
6	E	1208	1165	1.17	5.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.628
F2	0.000	0.000	0.750
H3	0.000	1.033	-0.994
H4	0.895	-0.516	-0.994
H5	-0.895	-0.516	-0.994

	C1	F2	H3	H4	H5
C1		1.3772	1.0958	1.0958	1.0958
F2	1.3772		2.0263	2.0263	2.0263
H3	1.0958	2.0263		1.7890	1.7890
H4	1.0958	2.0263	1.7890		1.7890
H5	1.0958	2.0263	1.7890	1.7890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.513	F2	C1	H4	109.513
F2	C1	H5	109.513	H3	C1	H4	109.429
H3	C1	H5	109.429	H4	C1	H5	109.429

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

using model chemistry: TPSSh/6-31G(2df,p)

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	-0.237
2	F	-0.170
3	H	0.136
4	H	0.136
5	H	0.136

	x	y	z	Total
	0.000	0.000	-1.594	1.594
CHELPG
AIM
ESP

<r²>	20.935
(<r²>)^1/2	4.575

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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