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	hartrees
Energy at 0K	-138.070259
Energy at 298.15K	-138.072742
HF Energy	-138.070259
Nuclear repulsion energy	54.027362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3356	2960	3.93
2	A₁	2222	1960	23.29
3	A₁	1537	1356	8.68
4	A₁	883	779	0.40
5	E	3520	3105	1.83
5	E	3520	3105	1.83
6	E	1674	1476	4.37
6	E	1674	1476	4.37
7	E	1043	920	27.97
7	E	1043	920	27.97
8	E	372	329	4.87
8	E	372	329	4.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.299
B2	0.000	0.000	0.245
O3	0.000	0.000	1.455
H4	0.000	1.025	-1.692
H5	0.888	-0.513	-1.692
H6	-0.888	-0.513	-1.692

	C1	B2	O3	H4	H5	H6
C1		1.5438	2.7540	1.0978	1.0978	1.0978
B2	1.5438		1.2103	2.1912	2.1912	2.1912
O3	2.7540	1.2103		3.3096	3.3096	3.3096
H4	1.0978	2.1912	3.3096		1.7754	1.7754
H5	1.0978	2.1912	3.3096	1.7754		1.7754
H6	1.0978	2.1912	3.3096	1.7754	1.7754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.970
B2	C1	H5	110.970	B2	C1	H6	110.970
H4	C1	H5	107.931	H4	C1	H6	107.931
H5	C1	H6	107.931

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

using model chemistry: PBE1PBE/STO-3G

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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Number	Element	Mulliken
1	C	-0.339
2	B	0.278
3	O	-0.234
4	H	0.099
5	H	0.099
6	H	0.099

	x	y	z	Total
	0.000	0.000	-1.847	1.847
CHELPG
AIM
ESP

<r²>	49.282
(<r²>)^1/2	7.020

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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