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	hartrees
Energy at 0K	-139.601132
Energy at 298.15K	-139.604160
HF Energy	-139.601132
Nuclear repulsion energy	37.423970

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	3048	2909	30.90	120.65	0.03	0.07
2	A₁	1516	1447	6.64	6.02	0.73	0.84
3	A₁	1124	1073	93.84	4.33	0.57	0.73
4	E	3135	2991	46.47	55.93	0.75	0.86
4	E	3135	2991	46.47	55.93	0.75	0.86
5	E	1506	1437	2.06	17.82	0.75	0.86
5	E	1506	1437	2.06	17.82	0.75	0.86
6	E	1205	1150	0.50	6.43	0.75	0.86
6	E	1205	1150	0.50	6.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.625
F2	0.000	0.000	0.749
H3	0.000	1.031	-0.996
H4	0.893	-0.515	-0.996
H5	-0.893	-0.515	-0.996

	C1	F2	H3	H4	H5
C1		1.3745	1.0953	1.0953	1.0953
F2	1.3745		2.0268	2.0268	2.0268
H3	1.0953	2.0268		1.7852	1.7852
H4	1.0953	2.0268	1.7852		1.7852
H5	1.0953	2.0268	1.7852	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.780	F2	C1	H4	109.780
F2	C1	H5	109.780	H3	C1	H4	109.160
H3	C1	H5	109.160	H4	C1	H5	109.160

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

using model chemistry: HSEh1PBE/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	-0.050
2	F	-0.318
3	H	0.122
4	H	0.122
5	H	0.122

	x	y	z	Total
	0.000	0.000	-1.704	1.704
CHELPG
AIM
ESP

<r²>	20.909
(<r²>)^1/2	4.573

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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