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	hartrees
Energy at 0K	-139.669198
Energy at 298.15K	-139.672181
HF Energy	-139.669198
Nuclear repulsion energy	36.081544

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	2969	2946	26.67	124.99	0.03	0.06
2	A₁	1479	1467	4.37	7.81	0.71	0.83
3	A₁	957	950	56.98	4.95	0.53	0.69
4	E	3054	3030	52.66	58.58	0.75	0.86
4	E	3054	3030	52.65	58.58	0.75	0.86
5	E	1488	1477	3.21	21.11	0.75	0.86
5	E	1488	1477	3.21	21.11	0.75	0.86
6	E	1127	1119	0.00	11.70	0.75	0.86
6	E	1127	1119	0.00	11.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.665
F2	0.000	0.000	0.785
H3	0.000	1.042	-1.024
H4	0.902	-0.521	-1.024
H5	-0.902	-0.521	-1.024

	C1	F2	H3	H4	H5
C1		1.4496	1.1020	1.1020	1.1020
F2	1.4496		2.0873	2.0873	2.0873
H3	1.1020	2.0873		1.8045	1.8045
H4	1.1020	2.0873	1.8045		1.8045
H5	1.1020	2.0873	1.8045	1.8045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.016	F2	C1	H4	109.016
F2	C1	H5	109.016	H3	C1	H4	109.923
H3	C1	H5	109.923	H4	C1	H5	109.923

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	-0.082
2	F	-0.323
3	H	0.135
4	H	0.135
5	H	0.135

	x	y	z	Total
	0.000	0.000	-2.090	2.090
CHELPG
AIM
ESP

<r²>	22.029
(<r²>)^1/2	4.694

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)