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	hartrees
Energy at 0K	-139.716960
Energy at 298.15K	-139.719993
HF Energy	-139.716960
Nuclear repulsion energy	37.457827

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	3077	3077	25.79	119.58	0.04	0.08
2	A₁	1523	1523	3.79	4.60	0.75	0.86
3	A₁	1120	1120	106.34	4.82	0.57	0.73
4	E	3161	3161	41.70	52.63	0.75	0.86
4	E	3161	3161	41.67	52.63	0.75	0.86
5	E	1526	1526	4.09	12.76	0.75	0.86
5	E	1526	1526	4.12	12.80	0.75	0.86
6	E	1217	1217	1.09	5.95	0.75	0.86
6	E	1217	1217	1.09	5.87	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	1.031	-0.984
H4	0.893	-0.516	-0.984
H5	-0.893	-0.516	-0.984

	C1	F2	H3	H4	H5
C1		1.3772	1.0907	1.0907	1.0907
F2	1.3772		2.0158	2.0158	2.0158
H3	1.0907	2.0158		1.7865	1.7865
H4	1.0907	2.0158	1.7865		1.7865
H5	1.0907	2.0158	1.7865	1.7865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.978	F2	C1	H4	108.978
F2	C1	H5	108.978	H3	C1	H4	109.960
H3	C1	H5	109.960	H4	C1	H5	109.960

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

using model chemistry: M06-2X/6-311G*

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	-0.337
2	F	-0.288
3	H	0.208
4	H	0.208
5	H	0.208

	x	y	z	Total
	0.000	0.000	-1.933	1.933
CHELPG
AIM
ESP

	x	y	z
x	1.888	0.000	0.000
y	0.000	1.893	-0.002
z	0.000	-0.002	1.878

<r²>	20.979
(<r²>)^1/2	4.580

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

using model chemistry: M06-2X/6-311G*

States and conformations

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