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	hartrees
Energy at 0K	-139.659166
Energy at 298.15K	-139.662192
HF Energy	-139.659166
Nuclear repulsion energy	37.455855

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	3039	2921	30.99	151.00	0.03	0.06
2	A₁	1486	1429	1.48	2.17	0.51	0.68
3	A₁	1095	1052	103.99	4.05	0.62	0.76
4	E	3124	3003	35.69	51.92	0.75	0.86
4	E	3124	3003	35.69	51.92	0.75	0.86
5	E	1490	1432	3.88	8.42	0.75	0.86
5	E	1490	1432	3.88	8.42	0.75	0.86
6	E	1199	1152	0.75	3.42	0.75	0.86
6	E	1199	1152	0.75	3.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.628
F2	0.000	0.000	0.748
H3	0.000	1.031	-0.988
H4	0.893	-0.515	-0.988
H5	-0.893	-0.515	-0.988

	C1	F2	H3	H4	H5
C1		1.3764	1.0915	1.0915	1.0915
F2	1.3764		2.0186	2.0186	2.0186
H3	1.0915	2.0186		1.7851	1.7851
H4	1.0915	2.0186	1.7851		1.7851
H5	1.0915	2.0186	1.7851	1.7851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.219	F2	C1	H4	109.219
F2	C1	H5	109.219	H3	C1	H4	109.722
H3	C1	H5	109.722	H4	C1	H5	109.722

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.045
2	F	-0.240
3	H	0.065
4	H	0.065
5	H	0.065

	x	y	z	Total
	0.000	0.000	-1.751	1.751
CHELPG
AIM
ESP

<r²>	21.001
(<r²>)^1/2	4.583

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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