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	hartrees
Energy at 0K	-139.738836
Energy at 298.15K	-139.741868
HF Energy	-139.738836
Nuclear repulsion energy	37.476432

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	3067	2929	25.65	145.34	0.03	0.06
2	A₁	1500	1432	2.23	1.82	0.62	0.76
3	A₁	1116	1066	105.78	4.51	0.55	0.71
4	E	3150	3009	29.57	47.15	0.75	0.86
4	E	3150	3008	29.91	47.34	0.75	0.86
5	E	1509	1441	3.51	8.05	0.75	0.86
5	E	1509	1441	3.57	8.04	0.75	0.86
6	E	1209	1155	1.39	3.50	0.75	0.86
6	E	1209	1155	1.38	3.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.630
F2	0.000	0.000	0.748
H3	0.000	1.030	-0.984
H4	0.892	-0.515	-0.984
H5	-0.892	-0.515	-0.984

	C1	F2	H3	H4	H5
C1		1.3773	1.0890	1.0890	1.0890
F2	1.3773		2.0148	2.0148	2.0148
H3	1.0890	2.0148		1.7834	1.7834
H4	1.0890	2.0148	1.7834		1.7834
H5	1.0890	2.0148	1.7834	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.003	F2	C1	H4	109.003
F2	C1	H5	109.003	H3	C1	H4	109.936
H3	C1	H5	109.936	H4	C1	H5	109.936

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

using model chemistry: M06-2X/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	0.038
2	F	-0.247
3	H	0.070
4	H	0.070
5	H	0.070

	x	y	z	Total
	0.000	0.000	-1.833	1.833
CHELPG
AIM
ESP

	x	y	z
x	2.150	0.000	0.000
y	0.000	2.155	-0.003
z	0.000	-0.003	2.238

<r²>	21.008
(<r²>)^1/2	4.583

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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