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	hartrees
Energy at 0K	-139.725834
Energy at 298.15K	-139.728841
HF Energy	-139.725834
Nuclear repulsion energy	37.121968

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	2965	2924	36.43	156.87	0.03	0.05
2	A₁	1459	1438	2.25	2.76	0.47	0.64
3	A₁	1025	1011	101.04	3.88	0.65	0.79
4	E	3044	3001	46.80	56.24	0.75	0.86
4	E	3044	3001	46.81	56.22	0.75	0.86
5	E	1462	1442	2.47	9.00	0.75	0.86
5	E	1462	1442	2.47	9.00	0.75	0.86
6	E	1170	1154	0.76	4.09	0.75	0.86
6	E	1170	1154	0.76	4.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.636
F2	0.000	0.000	0.756
H3	0.000	1.036	-0.995
H4	0.897	-0.518	-0.995
H5	-0.897	-0.518	-0.995

	C1	F2	H3	H4	H5
C1		1.3924	1.0960	1.0960	1.0960
F2	1.3924		2.0344	2.0344	2.0344
H3	1.0960	2.0344		1.7937	1.7937
H4	1.0960	2.0344	1.7937		1.7937
H5	1.0960	2.0344	1.7937	1.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.104	F2	C1	H4	109.104
F2	C1	H5	109.104	H3	C1	H4	109.836
H3	C1	H5	109.836	H4	C1	H5	109.836

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

using model chemistry: B97D3/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	0.055
2	F	-0.238
3	H	0.061
4	H	0.061
5	H	0.061

	x	y	z	Total
	0.000	0.000	-1.716	1.716
CHELPG
AIM
ESP

<r²>	21.260
(<r²>)^1/2	4.611

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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