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	hartrees
Energy at 0K	-139.103353
Energy at 298.15K	-139.105946
HF Energy	-139.006306
Nuclear repulsion energy	53.596314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3074	3074	0.02
2	A₁	1973	1973	68.48
3	A₁	1441	1441	40.94
4	A₁	823	823	0.07
5	E	3143	3143	1.18
5	E	3143	3143	1.18
6	E	1547	1547	10.47
6	E	1547	1547	10.47
7	E	983	983	29.48
7	E	983	983	29.48
8	E	372	372	4.81
8	E	372	372	4.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.306
B2	0.000	0.000	0.230
O3	0.000	0.000	1.471
H4	0.000	1.024	-1.694
H5	0.887	-0.512	-1.694
H6	-0.887	-0.512	-1.694

	C1	B2	O3	H4	H5	H6
C1		1.5366	2.7771	1.0948	1.0948	1.0948
B2	1.5366		1.2405	2.1795	2.1795	2.1795
O3	2.7771	1.2405		3.3260	3.3260	3.3260
H4	1.0948	2.1795	3.3260		1.7737	1.7737
H5	1.0948	2.1795	3.3260	1.7737		1.7737
H6	1.0948	2.1795	3.3260	1.7737	1.7737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.716
B2	C1	H5	110.716	B2	C1	H6	110.716
H4	C1	H5	108.198	H4	C1	H6	108.198
H5	C1	H6	108.198

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

using model chemistry: B2PLYP/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	-0.875
2	B	0.514
3	O	-0.333
4	H	0.231
5	H	0.231
6	H	0.231

	x	y	z	Total
	0.000	0.000	-3.118	3.118
CHELPG
AIM
ESP

<r²>	51.075
(<r²>)^1/2	7.147

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

using model chemistry: B2PLYP/3-21G

States and conformations

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