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	hartrees
Energy at 0K	-137.802669
Energy at 298.15K	-137.805681
HF Energy	-137.802669
Nuclear repulsion energy	36.814683

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	3300	3300	7.46	38.01	0.03	0.06
2	A₁	1653	1653	1.21	4.91	0.72	0.84
3	A₁	1255	1255	10.10	3.29	0.50	0.67
4	E	3453	3453	5.51	25.04	0.75	0.86
4	E	3453	3453	5.47	25.12	0.75	0.86
5	E	1682	1682	2.37	16.00	0.75	0.86
5	E	1682	1682	2.35	15.96	0.75	0.86
6	E	1237	1237	1.43	3.79	0.75	0.86
6	E	1237	1237	1.42	3.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.633
F2	0.000	0.000	0.765
H3	0.000	1.035	-1.031
H4	0.896	-0.517	-1.031
H5	-0.896	-0.517	-1.031

	C1	F2	H3	H4	H5
C1		1.3979	1.1085	1.1085	1.1085
F2	1.3979		2.0725	2.0725	2.0725
H3	1.1085	2.0725		1.7920	1.7920
H4	1.1085	2.0725	1.7920		1.7920
H5	1.1085	2.0725	1.7920	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	111.039	F2	C1	H4	111.039
F2	C1	H5	111.039	H3	C1	H4	107.859
H3	C1	H5	107.859	H4	C1	H5	107.858

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

using model chemistry: M06-2X/STO-3G

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	-0.103
2	F	-0.111
3	H	0.071
4	H	0.071
5	H	0.071

	x	y	z	Total
	0.000	0.000	-0.992	0.992
CHELPG
AIM
ESP

	x	y	z
x	0.849	0.000	0.000
y	0.000	0.852	-0.002
z	0.000	-0.002	1.103

<r²>	20.899
(<r²>)^1/2	4.572

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

using model chemistry: M06-2X/STO-3G

States and conformations

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