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	hartrees
Energy at 0K	-137.827752
Energy at 298.15K	-137.830749
HF Energy	-137.827752
Nuclear repulsion energy	36.509258

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	3197	3197	16.33	43.17	0.02	0.05
2	A₁	1633	1633	3.17	5.69	0.74	0.85
3	A₁	1185	1185	12.34	2.63	0.48	0.65
4	E	3341	3341	15.52	28.21	0.75	0.86
4	E	3341	3341	15.52	28.21	0.75	0.86
5	E	1666	1666	1.24	16.09	0.75	0.86
5	E	1666	1666	1.24	16.09	0.75	0.86
6	E	1216	1216	1.15	4.06	0.75	0.86
6	E	1216	1216	1.15	4.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.638
F2	0.000	0.000	0.772
H3	0.000	1.042	-1.041
H4	0.902	-0.521	-1.041
H5	-0.902	-0.521	-1.041

	C1	F2	H3	H4	H5
C1		1.4098	1.1170	1.1170	1.1170
F2	1.4098		2.0908	2.0908	2.0908
H3	1.1170	2.0908		1.8046	1.8046
H4	1.1170	2.0908	1.8046		1.8046
H5	1.1170	2.0908	1.8046	1.8046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	111.141	F2	C1	H4	111.141
F2	C1	H5	111.141	H3	C1	H4	107.751
H3	C1	H5	107.751	H4	C1	H5	107.751

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

using model chemistry: TPSSh/STO-3G

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	-0.098
2	F	-0.098
3	H	0.065
4	H	0.065
5	H	0.065

	x	y	z	Total
	0.000	0.000	-0.881	0.881
CHELPG
AIM
ESP

<r²>	21.151
(<r²>)^1/2	4.599

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

using model chemistry: TPSSh/STO-3G

States and conformations

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