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	hartrees
Energy at 0K	-140.096026
Energy at 298.15K	-140.098582
HF Energy	-140.096026
Nuclear repulsion energy	54.371985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3043	2942	0.01
2	A₁	2039	1971	185.72
3	A₁	1348	1303	18.90
4	A₁	823	796	0.03
5	E	3113	3009	1.53
5	E	3113	3009	1.53
6	E	1461	1413	7.22
6	E	1461	1413	7.22
7	E	923	892	26.88
7	E	923	892	26.88
8	E	369	357	9.71
8	E	369	357	9.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.290
B2	0.000	0.000	0.241
O3	0.000	0.000	1.445
H4	0.000	1.022	-1.676
H5	0.885	-0.511	-1.676
H6	-0.885	-0.511	-1.676

	C1	B2	O3	H4	H5	H6
C1		1.5308	2.7349	1.0927	1.0927	1.0927
B2	1.5308		1.2042	2.1722	2.1722	2.1722
O3	2.7349	1.2042		3.2839	3.2839	3.2839
H4	1.0927	2.1722	3.2839		1.7706	1.7706
H5	1.0927	2.1722	3.2839	1.7706		1.7706
H6	1.0927	2.1722	3.2839	1.7706	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.678
B2	C1	H5	110.678	B2	C1	H6	110.678
H4	C1	H5	108.238	H4	C1	H6	108.238
H5	C1	H6	108.238

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

using model chemistry: B3LYP/6-311G**

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	-0.467
2	B	0.275
3	O	-0.251
4	H	0.148
5	H	0.148
6	H	0.148

	x	y	z	Total
	0.000	0.000	-3.500	3.500
CHELPG
AIM
ESP

<r²>	50.049
(<r²>)^1/2	7.075

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

using model chemistry: B3LYP/6-311G**

States and conformations

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