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	hartrees
Energy at 0K	-139.993587
Energy at 298.15K	-139.996101
HF Energy	-139.993587
Nuclear repulsion energy	54.195374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3073	2945	0.07
2	A₁	2044	1959	175.93
3	A₁	1346	1290	21.76
4	A₁	824	789	0.07
5	E	3162	3030	0.52
5	E	3162	3030	0.52
6	E	1465	1404	7.27
6	E	1465	1404	7.27
7	E	916	878	28.70
7	E	916	878	28.70
8	E	355	340	8.84
8	E	355	340	8.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.295
B2	0.000	0.000	0.240
O3	0.000	0.000	1.450
H4	0.000	1.024	-1.678
H5	0.887	-0.512	-1.678
H6	-0.887	-0.512	-1.678

	C1	B2	O3	H4	H5	H6
C1		1.5350	2.7454	1.0936	1.0936	1.0936
B2	1.5350		1.2103	2.1746	2.1746	2.1746
O3	2.7454	1.2103		3.2920	3.2920	3.2920
H4	1.0936	2.1746	3.2920		1.7741	1.7741
H5	1.0936	2.1746	3.2920	1.7741		1.7741
H6	1.0936	2.1746	3.2920	1.7741	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.515
B2	C1	H5	110.515	B2	C1	H6	110.515
H4	C1	H5	108.408	H4	C1	H6	108.408
H5	C1	H6	108.408

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

using model chemistry: B3PW91/6-31G**

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	-0.590
2	B	0.369
3	O	-0.319
4	H	0.180
5	H	0.180
6	H	0.180

	x	y	z	Total
	0.000	0.000	-3.452	3.452
CHELPG
AIM
ESP

<r²>	49.933
(<r²>)^1/2	7.066

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

using model chemistry: B3PW91/6-31G**

States and conformations

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