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	hartrees
Energy at 0K	-139.106661
Energy at 298.15K	-139.109722
HF Energy	-139.106661
Nuclear repulsion energy	37.902690

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	3182	2890	36.68	156.48	0.03	0.06
2	A₁	1618	1470	3.12	0.85	0.31	0.47
3	A₁	1166	1059	141.16	5.20	0.52	0.69
4	E	3258	2960	46.75	47.06	0.75	0.86
4	E	3258	2960	46.75	47.06	0.75	0.86
5	E	1620	1471	3.64	5.21	0.75	0.86
5	E	1620	1471	3.64	5.21	0.75	0.86
6	E	1307	1188	3.40	2.24	0.75	0.86
6	E	1307	1188	3.40	2.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.621
F2	0.000	0.000	0.738
H3	0.000	1.022	-0.972
H4	0.885	-0.511	-0.972
H5	-0.885	-0.511	-0.972

	C1	F2	H3	H4	H5
C1		1.3595	1.0805	1.0805	1.0805
F2	1.3595		1.9926	1.9926	1.9926
H3	1.0805	1.9926		1.7699	1.7699
H4	1.0805	1.9926	1.7699		1.7699
H5	1.0805	1.9926	1.7699	1.7699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	108.964	F2	C1	H4	108.964
F2	C1	H5	108.964	H3	C1	H4	109.973
H3	C1	H5	109.973	H4	C1	H5	109.973

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

using model chemistry: HF/cc-pVQZ

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	0.240
2	F	-0.340
3	H	0.033
4	H	0.033
5	H	0.033

	x	y	z	Total
	0.000	0.000	-1.935	1.935
CHELPG
AIM
ESP

<r²>	20.669
(<r²>)^1/2	4.546

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

using model chemistry: HF/cc-pVQZ

States and conformations

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