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	hartrees
Energy at 0K	-139.850445
Energy at 298.15K	-139.852997
HF Energy	-139.850445
Nuclear repulsion energy	54.039611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3081	2947	0.01
2	A₁	1987	1901	164.80
3	A₁	1414	1352	43.67
4	A₁	838	801	0.56
5	E	3175	3037	0.82
5	E	3175	3037	0.82
6	E	1504	1439	13.51
6	E	1504	1439	13.51
7	E	962	920	37.11
7	E	962	920	37.11
8	E	358	343	9.22
8	E	358	343	9.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.293
B2	0.000	0.000	0.232
O3	0.000	0.000	1.456
H4	0.000	1.023	-1.683
H5	0.886	-0.512	-1.683
H6	-0.886	-0.512	-1.683

	C1	B2	O3	H4	H5	H6
C1		1.5259	2.7495	1.0948	1.0948	1.0948
B2	1.5259		1.2236	2.1716	2.1716	2.1716
O3	2.7495	1.2236		3.3016	3.3016	3.3016
H4	1.0948	2.1716	3.3016		1.7721	1.7721
H5	1.0948	2.1716	3.3016	1.7721		1.7721
H6	1.0948	2.1716	3.3016	1.7721	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.843
B2	C1	H5	110.843	B2	C1	H6	110.843
H4	C1	H5	108.065	H4	C1	H6	108.065
H5	C1	H6	108.065

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

using model chemistry: HSEh1PBE/6-31G

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	-0.726
2	B	0.445
3	O	-0.375
4	H	0.218
5	H	0.218
6	H	0.218

	x	y	z	Total
	0.000	0.000	-3.700	3.700
CHELPG
AIM
ESP

<r²>	50.324
(<r²>)^1/2	7.094

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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