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	hartrees
Energy at 0K	-139.741759
Energy at 298.15K	-139.744774
HF Energy	-139.741759
Nuclear repulsion energy	37.154417

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	3014	2924	29.81	143.16	0.03	0.07
2	A₁	1475	1430	6.59	4.25	0.63	0.77
3	A₁	1074	1041	98.39	4.25	0.65	0.79
4	E	3097	3004	45.33	65.11	0.75	0.86
4	E	3097	3004	45.33	65.11	0.75	0.86
5	E	1462	1418	2.58	14.50	0.75	0.86
5	E	1462	1418	2.58	14.49	0.75	0.86
6	E	1178	1143	1.23	5.08	0.75	0.86
6	E	1178	1143	1.23	5.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.631
F2	0.000	0.000	0.754
H3	0.000	1.040	-1.000
H4	0.900	-0.520	-1.000
H5	-0.900	-0.520	-1.000

	C1	F2	H3	H4	H5
C1		1.3849	1.1034	1.1034	1.1034
F2	1.3849		2.0393	2.0393	2.0393
H3	1.1034	2.0393		1.8008	1.8008
H4	1.1034	2.0393	1.8008		1.8008
H5	1.1034	2.0393	1.8008	1.8008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	H3	109.566	F2	C1	H4	109.566
F2	C1	H5	109.566	H3	C1	H4	109.376
H3	C1	H5	109.376	H4	C1	H5	109.376

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

using model chemistry: B3LYP/cc-pVDZ

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	0.182
2	F	-0.254
3	H	0.024
4	H	0.024
5	H	0.024

	x	y	z	Total
	0.000	0.000	-1.718	1.718
CHELPG
AIM
ESP

<r²>	21.159
(<r²>)^1/2	4.600

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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