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	hartrees
Energy at 0K	-140.091316
Energy at 298.15K	-140.093871
HF Energy	-140.091316
Nuclear repulsion energy	54.361343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3048	2945	0.17
2	A₁	2039	1971	184.15
3	A₁	1366	1320	22.25
4	A₁	821	794	0.07
5	E	3115	3010	2.88
5	E	3115	3010	2.88
6	E	1481	1431	8.28
6	E	1481	1431	8.28
7	E	930	899	28.25
7	E	930	899	28.25
8	E	370	357	9.83
8	E	370	357	9.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.289
B2	0.000	0.000	0.242
O3	0.000	0.000	1.446
H4	0.000	1.021	-1.679
H5	0.884	-0.510	-1.679
H6	-0.884	-0.510	-1.679

	C1	B2	O3	H4	H5	H6
C1		1.5311	2.7352	1.0927	1.0927	1.0927
B2	1.5311		1.2041	2.1754	2.1754	2.1754
O3	2.7352	1.2041		3.2877	3.2877	3.2877
H4	1.0927	2.1754	3.2877		1.7679	1.7679
H5	1.0927	2.1754	3.2877	1.7679		1.7679
H6	1.0927	2.1754	3.2877	1.7679	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.914
B2	C1	H5	110.914	B2	C1	H6	110.914
H4	C1	H5	107.991	H4	C1	H6	107.991
H5	C1	H6	107.991

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	-0.846
2	B	0.357
3	O	-0.251
4	H	0.246
5	H	0.246
6	H	0.246

	x	y	z	Total
	0.000	0.000	-3.480	3.480
CHELPG
AIM
ESP

<r²>	50.112
(<r²>)^1/2	7.079

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-)