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	hartrees
Energy at 0K	-31.089601
Energy at 298.15K	-31.092657
HF Energy	-31.089601
Nuclear repulsion energy	23.035747

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	3249	2917	50.61	147.16	0.05	0.09
2	A₁	1622	1456	12.56	4.89	0.61	0.76
3	A₁	1167	1048	159.29	7.58	0.44	0.61
4	E	3341	3000	87.90	57.32	0.75	0.86
4	E	3341	3000	87.90	57.32	0.75	0.86
5	E	1626	1460	1.35	14.50	0.75	0.86
5	E	1626	1460	1.35	14.50	0.75	0.86
6	E	1299	1166	4.34	6.74	0.75	0.86
6	E	1299	1166	4.34	6.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.629
F2	0.000	0.000	0.745
H3	0.000	1.032	-0.977
H4	0.893	-0.516	-0.977
H5	-0.893	-0.516	-0.977

	C1	F2	H3	H4	H5
C1		1.3746	1.0887	1.0887	1.0887
F2	1.3746		2.0076	2.0076	2.0076
H3	1.0887	2.0076		1.7868	1.7868
H4	1.0887	2.0076	1.7868		1.7868
H5	1.0887	2.0076	1.7868	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.626	F2	C1	H4	108.626
F2	C1	H5	108.626	H3	C1	H4	110.303
H3	C1	H5	110.303	H4	C1	H5	110.303

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

using model chemistry: HF/CEP-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	-0.158
2	F	-0.296
3	H	0.151
4	H	0.151
5	H	0.151

	x	y	z	Total
	0.000	0.000	-2.150	2.150
CHELPG
AIM
ESP

<r²>	18.928
(<r²>)^1/2	4.351

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

using model chemistry: HF/CEP-31G*

States and conformations

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