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	hartrees
Energy at 0K	-139.704951
Energy at 298.15K	-139.707958
HF Energy	-139.704951
Nuclear repulsion energy	37.089540

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	2930	2914	33.89	113.91	0.03	0.06
2	A₁	1474	1466	5.68	4.61	0.66	0.80
3	A₁	1043	1037	81.72	3.63	0.51	0.67
4	E	2998	2981	50.91	54.54	0.75	0.86
4	E	2998	2981	50.90	54.54	0.75	0.86
5	E	1454	1446	1.15	15.01	0.75	0.86
5	E	1454	1446	1.15	15.01	0.75	0.86
6	E	1173	1166	0.91	5.54	0.75	0.86
6	E	1173	1166	0.91	5.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.631
F2	0.000	0.000	0.756
H3	0.000	1.039	-1.006
H4	0.899	-0.519	-1.006
H5	-0.899	-0.519	-1.006

	C1	F2	H3	H4	H5
C1		1.3875	1.1041	1.1041	1.1041
F2	1.3875		2.0454	2.0454	2.0454
H3	1.1041	2.0454		1.7989	1.7989
H4	1.1041	2.0454	1.7989		1.7989
H5	1.1041	2.0454	1.7989	1.7989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.833	F2	C1	H4	109.833
F2	C1	H5	109.833	H3	C1	H4	109.107
H3	C1	H5	109.107	H4	C1	H5	109.107

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.204
2	F	-0.118
3	H	0.107
4	H	0.107
5	H	0.107

	x	y	z	Total
	0.000	0.000	-1.513	1.513
CHELPG
AIM
ESP

<r²>	21.243
(<r²>)^1/2	4.609

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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