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	hartrees
Energy at 0K	-139.578424
Energy at 298.15K	-139.581433
HF Energy	-139.578424
Nuclear repulsion energy	37.074509

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	2952	2911	34.80	122.54	0.03	0.06
2	A₁	1471	1451	7.13	7.14	0.71	0.83
3	A₁	1073	1058	85.22	3.90	0.60	0.75
4	E	3030	2989	50.72	58.28	0.75	0.86
4	E	3030	2989	50.72	58.28	0.75	0.86
5	E	1455	1435	1.58	19.15	0.75	0.86
5	E	1455	1435	1.58	19.15	0.75	0.86
6	E	1163	1147	0.19	7.09	0.75	0.86
6	E	1163	1147	0.19	7.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.631
F2	0.000	0.000	0.757
H3	0.000	1.038	-1.008
H4	0.899	-0.519	-1.008
H5	-0.899	-0.519	-1.008

	C1	F2	H3	H4	H5
C1		1.3875	1.1049	1.1049	1.1049
F2	1.3875		2.0479	2.0479	2.0479
H3	1.1049	2.0479		1.7986	1.7986
H4	1.1049	2.0479	1.7986		1.7986
H5	1.1049	2.0479	1.7986	1.7986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.977	F2	C1	H4	109.977
F2	C1	H5	109.977	H3	C1	H4	108.961
H3	C1	H5	108.961	H4	C1	H5	108.961

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

using model chemistry: PBEPBE/6-31G**

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	-0.060
2	F	-0.285
3	H	0.115
4	H	0.115
5	H	0.115

	x	y	z	Total
	0.000	0.000	-1.580	1.580
CHELPG
AIM
ESP

<r²>	21.210
(<r²>)^1/2	4.605

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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