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	hartrees
Energy at 0K	-139.698060
Energy at 298.15K	-139.701064
HF Energy	-139.698060
Nuclear repulsion energy	36.909091

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	2942	2919	35.75	120.23	0.03	0.06
2	A₁	1482	1470	9.11	6.99	0.71	0.83
3	A₁	1039	1031	84.61	4.06	0.58	0.73
4	E	3011	2988	56.96	57.98	0.75	0.86
4	E	3011	2988	56.95	57.98	0.75	0.86
5	E	1464	1453	1.02	18.84	0.75	0.86
5	E	1464	1453	1.02	18.84	0.75	0.86
6	E	1165	1156	0.44	7.60	0.75	0.86
6	E	1165	1156	0.44	7.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.636
F2	0.000	0.000	0.761
H3	0.000	1.038	-1.011
H4	0.899	-0.519	-1.011
H5	-0.899	-0.519	-1.011

	C1	F2	H3	H4	H5
C1		1.3978	1.1040	1.1040	1.1040
F2	1.3978		2.0543	2.0543	2.0543
H3	1.1040	2.0543		1.7987	1.7987
H4	1.1040	2.0543	1.7987		1.7987
H5	1.1040	2.0543	1.7987	1.7987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.839	F2	C1	H4	109.839
F2	C1	H5	109.839	H3	C1	H4	109.101
H3	C1	H5	109.101	H4	C1	H5	109.101

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

using model chemistry: BLYP/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	0.013
2	F	-0.292
3	H	0.093
4	H	0.093
5	H	0.093

	x	y	z	Total
	0.000	0.000	-1.607	1.607
CHELPG
AIM
ESP

<r²>	21.352
(<r²>)^1/2	4.621

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

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

States and conformations

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