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	hartrees
Energy at 0K	-26.254377
Energy at 298.15K	-26.256931
HF Energy	-26.254377
Nuclear repulsion energy	28.163015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3008	2931	1.00
2	A₁	1937	1887	180.67
3	A₁	1395	1359	37.75
4	A₁	810	790	1.00
5	E	3098	3019	6.79
5	E	3098	3019	6.80
6	E	1490	1452	13.19
6	E	1490	1452	13.19
7	E	957	932	29.85
7	E	957	932	29.85
8	E	358	349	9.81
8	E	358	349	9.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.305
B2	0.000	0.000	0.235
O3	0.000	0.000	1.467
H4	0.000	1.026	-1.695
H5	0.888	-0.513	-1.695
H6	-0.888	-0.513	-1.695

	C1	B2	O3	H4	H5	H6
C1		1.5398	2.7720	1.0971	1.0971	1.0971
B2	1.5398		1.2322	2.1852	2.1852	2.1852
O3	2.7720	1.2322		3.3239	3.3239	3.3239
H4	1.0971	2.1852	3.3239		1.7763	1.7763
H5	1.0971	2.1852	3.3239	1.7763		1.7763
H6	1.0971	2.1852	3.3239	1.7763	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.808
B2	C1	H5	110.808	B2	C1	H6	110.808
H4	C1	H5	108.102	H4	C1	H6	108.102
H5	C1	H6	108.102

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

using model chemistry: B3LYP/CEP-121G

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	-0.470
2	B	0.078
3	O	-0.191
4	H	0.194
5	H	0.194
6	H	0.194

	x	y	z	Total
	0.000	0.000	-3.878	3.878
CHELPG
AIM
ESP

<r²>	43.353
(<r²>)^1/2	6.584

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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