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	hartrees
Energy at 0K	-139.919539
Energy at 298.15K	-139.922067
HF Energy	-139.782641
Nuclear repulsion energy	54.074028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	2947	0.11
2	A₁	2001	1906	169.54
3	A₁	1369	1304	16.31
4	A₁	819	780	0.08
5	E	3180	3029	0.89
5	E	3180	3029	0.89
6	E	1486	1415	7.77
6	E	1486	1415	7.77
7	E	932	888	24.75
7	E	932	888	24.75
8	E	357	340	12.95
8	E	357	340	12.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.299
B2	0.000	0.000	0.239
O3	0.000	0.000	1.455
H4	0.000	1.022	-1.680
H5	0.885	-0.511	-1.680
H6	-0.885	-0.511	-1.680

	C1	B2	O3	H4	H5	H6
C1		1.5378	2.7542	1.0912	1.0912	1.0912
B2	1.5378		1.2164	2.1745	2.1745	2.1745
O3	2.7542	1.2164		3.2981	3.2981	3.2981
H4	1.0912	2.1745	3.2981		1.7707	1.7707
H5	1.0912	2.1745	3.2981	1.7707		1.7707
H6	1.0912	2.1745	3.2981	1.7707	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.463
B2	C1	H5	110.463	B2	C1	H6	110.463
H4	C1	H5	108.462	H4	C1	H6	108.462
H5	C1	H6	108.462

All results from a given calculation for CH₃BO (Borane, methyloxo-)

using model chemistry: B2PLYP/6-31+G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.617
2	B	0.630
3	O	-0.568
4	H	0.185
5	H	0.185
6	H	0.185

	x	y	z	Total
	0.000	0.000	-3.700	3.700
CHELPG
AIM
ESP

<r²>	50.703
(<r²>)^1/2	7.121

All results from a given calculation for CH3BO (Borane, methyloxo-)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for CH₃BO (Borane, methyloxo-)