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	hartrees
Energy at 0K	-139.237028
Energy at 298.15K	-139.239569
HF Energy	-139.237028
Nuclear repulsion energy	53.362916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2972	2955	0.10
2	A₁	1938	1927	79.92
3	A₁	1377	1370	37.57
4	A₁	803	798	0.10
5	E	3032	3015	1.96
5	E	3032	3015	1.96
6	E	1491	1483	9.33
6	E	1491	1483	9.33
7	E	939	934	27.07
7	E	939	934	27.07
8	E	362	360	2.37
8	E	362	360	2.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.310
B2	0.000	0.000	0.231
O3	0.000	0.000	1.476
H4	0.000	1.032	-1.702
H5	0.894	-0.516	-1.702
H6	-0.894	-0.516	-1.702

	C1	B2	O3	H4	H5	H6
C1		1.5404	2.7855	1.1043	1.1043	1.1043
B2	1.5404		1.2451	2.1910	2.1910	2.1910
O3	2.7855	1.2451		3.3411	3.3411	3.3411
H4	1.1043	2.1910	3.3411		1.7880	1.7880
H5	1.1043	2.1910	3.3411	1.7880		1.7880
H6	1.1043	2.1910	3.3411	1.7880	1.7880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.803
B2	C1	H5	110.803	B2	C1	H6	110.803
H4	C1	H5	108.108	H4	C1	H6	108.108
H5	C1	H6	108.108

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

using model chemistry: BLYP/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	-0.813
2	B	0.449
3	O	-0.299
4	H	0.221
5	H	0.221
6	H	0.221

	x	y	z	Total
	0.000	0.000	-3.073	3.073
CHELPG
AIM
ESP

<r²>	51.236
(<r²>)^1/2	7.158

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

using model chemistry: BLYP/3-21G

States and conformations

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