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	hartrees
Energy at 0K	-140.048307
Energy at 298.15K	-140.050821
HF Energy	-140.048307
Nuclear repulsion energy	53.998217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2970	2958	0.20
2	A₁	1968	1960	152.13
3	A₁	1315	1310	17.31
4	A₁	803	800	0.00
5	E	3032	3021	2.50
5	E	3032	3021	2.50
6	E	1428	1422	6.58
6	E	1428	1422	6.58
7	E	902	898	23.02
7	E	902	898	23.02
8	E	359	358	6.86
8	E	359	358	6.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.297
B2	0.000	0.000	0.240
O3	0.000	0.000	1.456
H4	0.000	1.028	-1.688
H5	0.890	-0.514	-1.688
H6	-0.890	-0.514	-1.688

	C1	B2	O3	H4	H5	H6
C1		1.5372	2.7528	1.0994	1.0994	1.0994
B2	1.5372		1.2155	2.1846	2.1846	2.1846
O3	2.7528	1.2155		3.3071	3.3071	3.3071
H4	1.0994	2.1846	3.3071		1.7800	1.7800
H5	1.0994	2.1846	3.3071	1.7800		1.7800
H6	1.0994	2.1846	3.3071	1.7800	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.810
B2	C1	H5	110.810	B2	C1	H6	110.810
H4	C1	H5	108.100	H4	C1	H6	108.100
H5	C1	H6	108.100

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

using model chemistry: BLYP/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	-0.441
2	B	0.232
3	O	-0.219
4	H	0.143
5	H	0.143
6	H	0.143

	x	y	z	Total
	0.000	0.000	-3.367	3.367
CHELPG
AIM
ESP

<r²>	50.611
(<r²>)^1/2	7.114

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

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

States and conformations

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