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	hartrees
Energy at 0K	-25.686679
Energy at 298.15K	-25.689312
HF Energy	-25.686679
Nuclear repulsion energy	28.417188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	2905	1.89
2	A₁	2164	1943	331.37
3	A₁	1480	1329	11.06
4	A₁	842	757	2.59
5	E	3320	2982	14.09
5	E	3320	2982	14.09
6	E	1593	1430	6.74
6	E	1593	1430	6.74
7	E	1004	902	26.91
7	E	1004	902	26.91
8	E	389	350	25.49
8	E	389	350	25.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.306
B2	0.000	0.000	0.253
O3	0.000	0.000	1.452
H4	0.000	1.023	-1.681
H5	0.886	-0.511	-1.681
H6	-0.886	-0.511	-1.681

	C1	B2	O3	H4	H5	H6
C1		1.5590	2.7577	1.0894	1.0894	1.0894
B2	1.5590		1.1986	2.1882	2.1882	2.1882
O3	2.7577	1.1986		3.2959	3.2959	3.2959
H4	1.0894	2.1882	3.2959		1.7711	1.7711
H5	1.0894	2.1882	3.2959	1.7711		1.7711
H6	1.0894	2.1882	3.2959	1.7711	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.168
B2	C1	H5	110.168	B2	C1	H6	110.168
H4	C1	H5	108.766	H4	C1	H6	108.766
H5	C1	H6	108.766

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

using model chemistry: HF/CEP-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	-0.270
2	B	0.001
3	O	-0.244
4	H	0.171
5	H	0.171
6	H	0.171

	x	y	z	Total
	0.000	0.000	-4.024	4.024
CHELPG
AIM
ESP

<r²>	42.841
(<r²>)^1/2	6.545

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

using model chemistry: HF/CEP-31G*

States and conformations

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