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	hartrees
Energy at 0K	-140.062767
Energy at 298.15K	-140.065262
HF Energy	-140.062767
Nuclear repulsion energy	53.983602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2972	2962	0.04
2	A₁	1949	1943	179.53
3	A₁	1310	1305	12.35
4	A₁	799	796	0.00
5	E	3031	3021	1.24
5	E	3031	3021	1.24
6	E	1424	1419	5.13
6	E	1424	1419	5.13
7	E	898	895	20.35
7	E	898	895	20.35
8	E	351	349	10.15
8	E	351	349	10.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.298
B2	0.000	0.000	0.239
O3	0.000	0.000	1.457
H4	0.000	1.025	-1.687
H5	0.888	-0.513	-1.687
H6	-0.888	-0.513	-1.687

	C1	B2	O3	H4	H5	H6
C1		1.5376	2.7552	1.0968	1.0968	1.0968
B2	1.5376		1.2176	2.1827	2.1827	2.1827
O3	2.7552	1.2176		3.3073	3.3073	3.3073
H4	1.0968	2.1827	3.3073		1.7761	1.7761
H5	1.0968	2.1827	3.3073	1.7761		1.7761
H6	1.0968	2.1827	3.3073	1.7761	1.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.782
B2	C1	H5	110.782	B2	C1	H6	110.782
H4	C1	H5	108.129	H4	C1	H6	108.129
H5	C1	H6	108.129

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

using model chemistry: BLYP/aug-cc-pVTZ

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	-0.476
2	B	0.214
3	O	-0.407
4	H	0.223
5	H	0.223
6	H	0.223

	x	y	z	Total
	0.000	0.000	-3.640	3.640
CHELPG
AIM
ESP

<r²>	50.818
(<r²>)^1/2	7.129

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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