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	hartrees
Energy at 0K	-139.215911
Energy at 298.15K	-139.218475
HF Energy	-139.215911
Nuclear repulsion energy	53.914563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3041	2916	0.97
2	A₁	2048	1964	125.64
3	A₁	1414	1355	51.15
4	A₁	837	803	0.07
5	E	3114	2986	0.09
5	E	3114	2986	0.09
6	E	1520	1457	13.16
6	E	1520	1457	13.10
7	E	962	923	38.00
7	E	962	923	38.02
8	E	362	347	6.60
8	E	361	347	6.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.298
B2	0.000	0.000	0.232
O3	0.000	0.000	1.460
H4	0.000	1.025	-1.683
H5	0.888	-0.513	-1.683
H6	-0.888	-0.513	-1.683

	C1	B2	O3	H4	H5	H6
C1		1.5304	2.7579	1.0952	1.0952	1.0952
B2	1.5304		1.2274	2.1727	2.1727	2.1727
O3	2.7579	1.2274		3.3061	3.3061	3.3061
H4	1.0952	2.1727	3.3061		1.7757	1.7757
H5	1.0952	2.1727	3.3061	1.7757		1.7757
H6	1.0952	2.1727	3.3061	1.7757	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.594
B2	C1	H5	110.594	B2	C1	H6	110.594
H4	C1	H5	108.326	H4	C1	H6	108.326
H5	C1	H6	108.326

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

using model chemistry: M06-2X/3-21G

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	-0.905
2	B	0.530
3	O	-0.362
4	H	0.245
5	H	0.245
6	H	0.245

	x	y	z	Total
	0.000	0.000	-3.419	3.419
CHELPG
AIM
ESP

	x	y	z
x	2.433	0.000	0.000
y	0.000	2.432	-0.000
z	0.000	-0.000	4.006

<r²>	50.569
(<r²>)^1/2	7.111

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

using model chemistry: M06-2X/3-21G

States and conformations

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