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	hartrees
Energy at 0K	-140.031496
Energy at 298.15K	-140.034044
HF Energy	-140.031496
Nuclear repulsion energy	54.392117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3054	2942	0.01
2	A₁	2044	1968	192.59
3	A₁	1335	1286	20.50
4	A₁	828	798	0.05
5	E	3135	3020	0.63
5	E	3135	3020	0.63
6	E	1452	1398	7.91
6	E	1452	1398	7.91
7	E	914	880	28.79
7	E	914	880	28.78
8	E	366	353	9.40
8	E	366	353	9.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.289
B2	0.000	0.000	0.240
O3	0.000	0.000	1.444
H4	0.000	1.023	-1.673
H5	0.886	-0.511	-1.673
H6	-0.886	-0.511	-1.673

	C1	B2	O3	H4	H5	H6
C1		1.5285	2.7331	1.0929	1.0929	1.0929
B2	1.5285		1.2047	2.1694	2.1694	2.1694
O3	2.7331	1.2047		3.2812	3.2812	3.2812
H4	1.0929	2.1694	3.2812		1.7719	1.7719
H5	1.0929	2.1694	3.2812	1.7719		1.7719
H6	1.0929	2.1694	3.2812	1.7719	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.601
B2	C1	H5	110.601	B2	C1	H6	110.601
H4	C1	H5	108.318	H4	C1	H6	108.318
H5	C1	H6	108.318

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

using model chemistry: B3PW91/6-311G**

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	-0.527
2	B	0.309
3	O	-0.265
4	H	0.161
5	H	0.161
6	H	0.161

	x	y	z	Total
	0.000	0.000	-3.541	3.541
CHELPG
AIM
ESP

<r²>	49.871
(<r²>)^1/2	7.062

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

using model chemistry: B3PW91/6-311G**

States and conformations

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