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	hartrees
Energy at 0K	-139.674614
Energy at 298.15K	-139.677647
HF Energy	-139.674614
Nuclear repulsion energy	37.453169

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	3066	2914	27.01	123.51	0.04	0.07
2	A₁	1522	1446	7.03	5.88	0.75	0.85
3	A₁	1147	1090	94.54	4.80	0.55	0.71
4	E	3150	2994	45.68	56.99	0.75	0.86
4	E	3150	2994	45.50	57.00	0.75	0.86
5	E	1517	1442	1.66	18.64	0.75	0.86
5	E	1517	1442	1.65	18.62	0.75	0.86
6	E	1210	1150	1.05	6.74	0.75	0.86
6	E	1210	1150	1.06	6.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.626
F2	0.000	0.000	0.748
H3	0.000	1.031	-0.992
H4	0.893	-0.515	-0.992
H5	-0.893	-0.515	-0.992

	C1	F2	H3	H4	H5
C1		1.3745	1.0937	1.0937	1.0937
F2	1.3745		2.0225	2.0225	2.0225
H3	1.0937	2.0225		1.7853	1.7853
H4	1.0937	2.0225	1.7853		1.7853
H5	1.0937	2.0225	1.7853	1.7853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.529	F2	C1	H4	109.529
F2	C1	H5	109.529	H3	C1	H4	109.413
H3	C1	H5	109.413	H4	C1	H5	109.413

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

using model chemistry: M06-2X/6-31G**

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	-0.020
2	F	-0.330
3	H	0.117
4	H	0.117
5	H	0.117

	x	y	z	Total
	0.000	0.000	-1.753	1.753
CHELPG
AIM
ESP

	x	y	z
x	1.964	0.000	0.000
y	0.000	1.970	-0.003
z	0.000	-0.003	1.889

<r²>	20.904
(<r²>)^1/2	4.572

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

using model chemistry: M06-2X/6-31G**

States and conformations

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