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	hartrees
Energy at 0K	-139.981449
Energy at 298.15K	-139.983968
HF Energy	-139.981449
Nuclear repulsion energy	54.260854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3095	2931	0.38
2	A₁	2093	1982	203.72
3	A₁	1366	1294	20.82
4	A₁	830	786	0.20
5	E	3180	3012	0.09
5	E	3180	3012	0.10
6	E	1492	1413	7.59
6	E	1492	1413	7.47
7	E	928	878	29.92
7	E	927	878	29.68
8	E	357	338	11.35
8	E	356	338	11.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.296
B2	0.000	0.000	0.244
O3	0.000	0.000	1.448
H4	0.000	1.024	-1.677
H5	0.887	-0.512	-1.677
H6	-0.887	-0.512	-1.677

	C1	B2	O3	H4	H5	H6
C1		1.5394	2.7442	1.0925	1.0925	1.0925
B2	1.5394		1.2047	2.1765	2.1765	2.1765
O3	2.7442	1.2047		3.2888	3.2888	3.2888
H4	1.0925	2.1765	3.2888		1.7734	1.7734
H5	1.0925	2.1765	3.2888	1.7734		1.7734
H6	1.0925	2.1765	3.2888	1.7734	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.422
B2	C1	H5	110.422	B2	C1	H6	110.422
H4	C1	H5	108.503	H4	C1	H6	108.503
H5	C1	H6	108.503

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

using model chemistry: M06-2X/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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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	-0.695
2	B	0.390
3	O	-0.338
4	H	0.214
5	H	0.214
6	H	0.214

	x	y	z	Total
	0.000	0.000	-3.453	3.453
CHELPG
AIM
ESP

<r²>	50.006
(<r²>)^1/2	7.071

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

using model chemistry: M06-2X/6-31G*

States and conformations

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