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	hartrees
Energy at 0K	-139.957706
Energy at 298.15K	-139.960261
HF Energy	-139.813127
Nuclear repulsion energy	54.273168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3071	3071	0.06
2	A₁	2019	2019	143.44
3	A₁	1356	1356	16.68
4	A₁	823	823	0.00
5	E	3151	3151	1.42
5	E	3151	3151	1.42
6	E	1477	1477	7.05
6	E	1477	1477	7.05
7	E	928	928	24.24
7	E	928	928	24.24
8	E	366	366	9.49
8	E	366	366	9.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.294
B2	0.000	0.000	0.240
O3	0.000	0.000	1.449
H4	0.000	1.022	-1.676
H5	0.885	-0.511	-1.676
H6	-0.885	-0.511	-1.676

	C1	B2	O3	H4	H5	H6
C1		1.5341	2.7424	1.0913	1.0913	1.0913
B2	1.5341		1.2083	2.1716	2.1716	2.1716
O3	2.7424	1.2083		3.2871	3.2871	3.2871
H4	1.0913	2.1716	3.2871		1.7707	1.7707
H5	1.0913	2.1716	3.2871	1.7707		1.7707
H6	1.0913	2.1716	3.2871	1.7707	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.476
B2	C1	H5	110.476	B2	C1	H6	110.476
H4	C1	H5	108.448	H4	C1	H6	108.448
H5	C1	H6	108.448

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

using model chemistry: B2PLYP/6-311G**

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	-0.467
2	B	0.267
3	O	-0.240
4	H	0.147
5	H	0.147
6	H	0.147

	x	y	z	Total
	0.000	0.000	-3.388	3.388
CHELPG
AIM
ESP

<r²>	50.227
(<r²>)^1/2	7.087

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

using model chemistry: B2PLYP/6-311G**

States and conformations

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