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	hartrees
Energy at 0K	-139.102719
Energy at 298.15K	-139.105779
HF Energy	-139.102719
Nuclear repulsion energy	37.880116

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	3184	2886	35.36	152.93	0.03	0.07
2	A₁	1618	1466	4.08	1.02	0.55	0.71
3	A₁	1169	1059	143.04	5.41	0.55	0.71
4	E	3262	2957	48.00	49.67	0.75	0.86
4	E	3262	2957	48.00	49.67	0.75	0.86
5	E	1619	1468	3.32	7.18	0.75	0.86
5	E	1619	1468	3.32	7.18	0.75	0.86
6	E	1307	1184	3.20	3.39	0.75	0.86
6	E	1307	1184	3.20	3.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.622
F2	0.000	0.000	0.739
H3	0.000	1.022	-0.973
H4	0.885	-0.511	-0.973
H5	-0.885	-0.511	-0.973

	C1	F2	H3	H4	H5
C1		1.3605	1.0809	1.0809	1.0809
F2	1.3605		1.9934	1.9934	1.9934
H3	1.0809	1.9934		1.7708	1.7708
H4	1.0809	1.9934	1.7708		1.7708
H5	1.0809	1.9934	1.7708	1.7708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.937	F2	C1	H4	108.937
F2	C1	H5	108.937	H3	C1	H4	110.000
H3	C1	H5	110.000	H4	C1	H5	110.000

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

using model chemistry: HF/Def2TZVPP

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	0.121
2	F	-0.307
3	H	0.062
4	H	0.062
5	H	0.062

	x	y	z	Total
	0.000	0.000	-1.951	1.951
CHELPG
AIM
ESP

<r²>	20.683
(<r²>)^1/2	4.548

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

using model chemistry: HF/Def2TZVPP

States and conformations

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