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	hartrees
Energy at 0K	-139.822903
Energy at 298.15K	-139.825441
HF Energy	-139.725701
Nuclear repulsion energy	53.763967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	3075	0.30
2	A₁	1938	1938	110.02
3	A₁	1434	1434	32.10
4	A₁	821	821	0.19
5	E	3159	3159	2.86
5	E	3159	3159	2.86
6	E	1525	1525	10.69
6	E	1525	1525	10.69
7	E	977	977	29.71
7	E	977	977	29.71
8	E	350	350	9.49
8	E	350	350	9.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.302
B2	0.000	0.000	0.233
O3	0.000	0.000	1.465
H4	0.000	1.023	-1.692
H5	0.886	-0.512	-1.692
H6	-0.886	-0.512	-1.692

	C1	B2	O3	H4	H5	H6
C1		1.5356	2.7674	1.0949	1.0949	1.0949
B2	1.5356		1.2318	2.1801	2.1801	2.1801
O3	2.7674	1.2318		3.3185	3.3185	3.3185
H4	1.0949	2.1801	3.3185		1.7724	1.7724
H5	1.0949	2.1801	3.3185	1.7724		1.7724
H6	1.0949	2.1801	3.3185	1.7724	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.833
B2	C1	H5	110.833	B2	C1	H6	110.833
H4	C1	H5	108.076	H4	C1	H6	108.076
H5	C1	H6	108.076

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

using model chemistry: B2PLYP/6-31G

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	-0.630
2	B	0.418
3	O	-0.358
4	H	0.190
5	H	0.190
6	H	0.190

	x	y	z	Total
	0.000	0.000	-3.507	3.507
CHELPG
AIM
ESP

<r²>	50.921
(<r²>)^1/2	7.136

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

using model chemistry: B2PLYP/6-31G

States and conformations

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