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	hartrees
Energy at 0K	-138.909107
Energy at 298.15K	-138.912138
HF Energy	-138.909107
Nuclear repulsion energy	36.766923

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	3082	2920	14.88	98.37	0.04	0.07
2	A₁	1568	1486	3.34	7.40	0.75	0.86
3	A₁	1110	1051	47.62	4.99	0.49	0.66
4	E	3145	2979	37.00	47.69	0.75	0.86
4	E	3145	2978	36.61	47.72	0.75	0.86
5	E	1578	1495	3.26	22.71	0.75	0.86
5	E	1578	1495	3.26	22.70	0.75	0.86
6	E	1198	1134	0.06	8.17	0.75	0.86
6	E	1198	1134	0.06	8.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.644
F2	0.000	0.000	0.769
H3	0.000	1.027	-1.018
H4	0.889	-0.513	-1.018
H5	-0.889	-0.513	-1.018

	C1	F2	H3	H4	H5
C1		1.4130	1.0926	1.0926	1.0926
F2	1.4130		2.0605	2.0605	2.0605
H3	1.0926	2.0605		1.7786	1.7786
H4	1.0926	2.0605	1.7786		1.7786
H5	1.0926	2.0605	1.7786	1.7786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.984	F2	C1	H4	109.984
F2	C1	H5	109.984	H3	C1	H4	108.954
H3	C1	H5	108.954	H4	C1	H5	108.954

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

using model chemistry: M06-2X/3-21G*

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	-0.250
2	F	-0.327
3	H	0.193
4	H	0.193
5	H	0.193

	x	y	z	Total
	0.000	0.000	-2.027	2.027
CHELPG
AIM
ESP

	x	y	z
x	1.616	0.000	0.000
y	0.000	1.620	-0.002
z	0.000	-0.002	1.688

<r²>	21.450
(<r²>)^1/2	4.631

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

using model chemistry: M06-2X/3-21G*

States and conformations

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