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	hartrees
Energy at 0K	-139.241157
Energy at 298.15K	-139.243828
HF Energy	-139.241157
Nuclear repulsion energy	54.696599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3184	2883	0.10
2	A₁	2184	1978	267.52
3	A₁	1456	1319	10.30
4	A₁	846	766	0.63
5	E	3264	2955	3.35
5	E	3264	2955	3.35
6	E	1574	1425	4.54
6	E	1574	1425	4.54
7	E	993	899	31.82
7	E	993	899	31.82
8	E	405	367	22.89
8	E	405	367	22.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.291
B2	0.000	0.000	0.252
O3	0.000	0.000	1.436
H4	0.000	1.017	-1.667
H5	0.881	-0.509	-1.667
H6	-0.881	-0.509	-1.667

	C1	B2	O3	H4	H5	H6
C1		1.5426	2.7273	1.0846	1.0846	1.0846
B2	1.5426		1.1848	2.1719	2.1719	2.1719
O3	2.7273	1.1848		3.2662	3.2662	3.2662
H4	1.0846	2.1719	3.2662		1.7619	1.7619
H5	1.0846	2.1719	3.2662	1.7619		1.7619
H6	1.0846	2.1719	3.2662	1.7619	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.308
B2	C1	H5	110.308	B2	C1	H6	110.308
H4	C1	H5	108.622	H4	C1	H6	108.622
H5	C1	H6	108.621

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

using model chemistry: HF/6-31G(2df,p)

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	-0.558
2	B	0.156
3	O	-0.142
4	H	0.181
5	H	0.181
6	H	0.181

	x	y	z	Total
	0.000	0.000	-3.816	3.816
CHELPG
AIM
ESP

<r²>	49.698
(<r²>)^1/2	7.050

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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