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	hartrees
Energy at 0K	-139.888294
Energy at 298.15K	-139.890812
HF Energy	-139.888294
Nuclear repulsion energy	54.214124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3090	2939	0.11
2	A₁	2057	1956	178.34
3	A₁	1367	1300	23.99
4	A₁	827	787	0.14
5	E	3177	3021	0.43
5	E	3177	3021	0.43
6	E	1487	1414	8.24
6	E	1487	1414	8.24
7	E	924	879	30.40
7	E	924	879	30.40
8	E	357	339	9.30
8	E	357	339	9.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.294
B2	0.000	0.000	0.241
O3	0.000	0.000	1.450
H4	0.000	1.024	-1.679
H5	0.887	-0.512	-1.679
H6	-0.887	-0.512	-1.679

	C1	B2	O3	H4	H5	H6
C1		1.5355	2.7442	1.0941	1.0941	1.0941
B2	1.5355		1.2086	2.1762	2.1762	2.1762
O3	2.7442	1.2086		3.2921	3.2921	3.2921
H4	1.0941	2.1762	3.2921		1.7742	1.7742
H5	1.0941	2.1762	3.2921	1.7742		1.7742
H6	1.0941	2.1762	3.2921	1.7742	1.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.573
B2	C1	H5	110.573	B2	C1	H6	110.573
H4	C1	H5	108.347	H4	C1	H6	108.347
H5	C1	H6	108.347

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

using model chemistry: HSEh1PBE/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	-0.726
2	B	0.373
3	O	-0.316
4	H	0.223
5	H	0.223
6	H	0.223

	x	y	z	Total
	0.000	0.000	-3.455	3.455
CHELPG
AIM
ESP

<r²>	49.952
(<r²>)^1/2	7.068

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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