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	hartrees
Energy at 0K	-139.703525
Energy at 298.15K	-139.706525
HF Energy	-139.703525
Nuclear repulsion energy	36.396078

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	3088	3088	32.61	138.56	0.04	0.07
2	A₁	1500	1500	0.14	4.64	0.69	0.81
3	A₁	1003	1003	77.05	8.54	0.38	0.55
4	E	3209	3209	47.76	47.00	0.75	0.86
4	E	3209	3209	47.77	47.00	0.75	0.86
5	E	1520	1520	9.23	16.23	0.75	0.86
5	E	1520	1520	9.24	16.23	0.75	0.86
6	E	1162	1162	0.01	9.82	0.75	0.86
6	E	1162	1162	0.01	9.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.663
F2	0.000	0.000	0.776
H3	0.000	1.038	-1.004
H4	0.899	-0.519	-1.004
H5	-0.899	-0.519	-1.004

	C1	F2	H3	H4	H5
C1		1.4391	1.0922	1.0922	1.0922
F2	1.4391		2.0604	2.0604	2.0604
H3	1.0922	2.0604		1.7971	1.7971
H4	1.0922	2.0604	1.7971		1.7971
H5	1.0922	2.0604	1.7971	1.7971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.193	F2	C1	H4	108.193
F2	C1	H5	108.193	H3	C1	H4	110.719
H3	C1	H5	110.719	H4	C1	H5	110.719

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

using model chemistry: wB97X-D/SDD

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	-0.319
2	F	-0.313
3	H	0.211
4	H	0.211
5	H	0.211

	x	y	z	Total
	0.000	0.000	-2.555	2.555
CHELPG
AIM
ESP

<r²>	21.679
(<r²>)^1/2	4.656

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

using model chemistry: wB97X-D/SDD

States and conformations

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