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	hartrees
Energy at 0K	-139.992895
Energy at 298.15K	-139.995418
HF Energy	-139.992895
Nuclear repulsion energy	54.316552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3088	2954	0.03
2	A₁	2046	1957	222.85
3	A₁	1342	1283	20.81
4	A₁	828	792	0.17
5	E	3179	3041	0.19
5	E	3179	3041	0.19
6	E	1461	1397	8.48
6	E	1461	1397	8.48
7	E	914	874	29.05
7	E	914	874	29.05
8	E	358	343	12.30
8	E	358	343	12.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.292
B2	0.000	0.000	0.239
O3	0.000	0.000	1.447
H4	0.000	1.022	-1.674
H5	0.885	-0.511	-1.674
H6	-0.885	-0.511	-1.674

	C1	B2	O3	H4	H5	H6
C1		1.5310	2.7392	1.0911	1.0911	1.0911
B2	1.5310		1.2081	2.1686	2.1686	2.1686
O3	2.7392	1.2081		3.2839	3.2839	3.2839
H4	1.0911	2.1686	3.2839		1.7706	1.7706
H5	1.0911	2.1686	3.2839	1.7706		1.7706
H6	1.0911	2.1686	3.2839	1.7706	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.467
B2	C1	H5	110.467	B2	C1	H6	110.467
H4	C1	H5	108.458	H4	C1	H6	108.458
H5	C1	H6	108.458

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

using model chemistry: B1B95/6-31+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	-0.673
2	B	0.643
3	O	-0.574
4	H	0.201
5	H	0.201
6	H	0.201

	x	y	z	Total
	0.000	0.000	-3.788	3.788
CHELPG
AIM
ESP

<r²>	50.145
(<r²>)^1/2	7.081

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

using model chemistry: B1B95/6-31+G**

States and conformations

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