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	hartrees
Energy at 0K	-139.167421
Energy at 298.15K	-139.170083
HF Energy	-139.167421
Nuclear repulsion energy	54.416656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3200	2890	0.14
2	A₁	2096	1892	264.77
3	A₁	1538	1388	39.11
4	A₁	859	776	2.89
5	E	3282	2963	2.63
5	E	3282	2963	2.63
6	E	1612	1455	12.55
6	E	1612	1455	12.55
7	E	1049	947	44.01
7	E	1049	947	44.01
8	E	388	351	25.69
8	E	388	351	25.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.291
B2	0.000	0.000	0.241
O3	0.000	0.000	1.447
H4	0.000	1.013	-1.676
H5	0.877	-0.507	-1.676
H6	-0.877	-0.507	-1.676

	C1	B2	O3	H4	H5	H6
C1		1.5321	2.7378	1.0839	1.0839	1.0839
B2	1.5321		1.2057	2.1685	2.1685	2.1685
O3	2.7378	1.2057		3.2832	3.2832	3.2832
H4	1.0839	2.1685	3.2832		1.7547	1.7547
H5	1.0839	2.1685	3.2832	1.7547		1.7547
H6	1.0839	2.1685	3.2832	1.7547	1.7547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.819
B2	C1	H5	110.819	B2	C1	H6	110.819
H4	C1	H5	108.090	H4	C1	H6	108.090
H5	C1	H6	108.090

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

using model chemistry: HF/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	-0.755
2	B	0.634
3	O	-0.517
4	H	0.212
5	H	0.212
6	H	0.212

	x	y	z	Total
	0.000	0.000	-4.188	4.188
CHELPG
AIM
ESP

<r²>	50.366
(<r²>)^1/2	7.097

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

using model chemistry: HF/6-31G

States and conformations

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