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	hartrees
Energy at 0K	-138.046772
Energy at 298.15K	-138.049183
HF Energy	-138.046772
Nuclear repulsion energy	53.506465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3239	2959	3.05
2	A₁	2113	1930	15.57
3	A₁	1482	1354	8.31
4	A₁	852	779	0.88
5	E	3395	3102	0.79
5	E	3395	3102	0.79
6	E	1622	1482	4.20
6	E	1622	1482	4.20
7	E	1005	919	25.44
7	E	1005	919	25.44
8	E	353	322	2.90
8	E	353	322	2.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.309
B2	0.000	0.000	0.243
O3	0.000	0.000	1.470
H4	0.000	1.033	-1.708
H5	0.894	-0.516	-1.708
H6	-0.894	-0.516	-1.708

	C1	B2	O3	H4	H5	H6
C1		1.5516	2.7791	1.1068	1.1068	1.1068
B2	1.5516		1.2275	2.2067	2.2067	2.2067
O3	2.7791	1.2275		3.3413	3.3413	3.3413
H4	1.1068	2.2067	3.3413		1.7884	1.7884
H5	1.1068	2.2067	3.3413	1.7884		1.7884
H6	1.1068	2.2067	3.3413	1.7884	1.7884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	111.111
B2	C1	H5	111.111	B2	C1	H6	111.111
H4	C1	H5	107.783	H4	C1	H6	107.783
H5	C1	H6	107.783

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

using model chemistry: PBEPBE/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	-0.333
2	B	0.246
3	O	-0.205
4	H	0.097
5	H	0.097
6	H	0.097

	x	y	z	Total
	0.000	0.000	-1.718	1.718
CHELPG
AIM
ESP

<r²>	49.937
(<r²>)^1/2	7.067

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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