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	hartrees
Energy at 0K	-25.694448
Energy at 298.15K	-25.697091
HF Energy	-25.694448
Nuclear repulsion energy	28.548422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3202	2893	1.69
2	A₁	2144	1937	305.83
3	A₁	1479	1336	13.25
4	A₁	834	754	1.73
5	E	3284	2967	8.38
5	E	3284	2967	8.38
6	E	1591	1438	6.84
6	E	1591	1438	6.84
7	E	1009	912	29.83
7	E	1009	912	29.83
8	E	391	353	24.95
8	E	391	353	24.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.299
B2	0.000	0.000	0.252
O3	0.000	0.000	1.445
H4	0.000	1.018	-1.676
H5	0.881	-0.509	-1.676
H6	-0.881	-0.509	-1.676

	C1	B2	O3	H4	H5	H6
C1		1.5510	2.7433	1.0855	1.0855	1.0855
B2	1.5510		1.1923	2.1809	2.1809	2.1809
O3	2.7433	1.1923		3.2830	3.2830	3.2830
H4	1.0855	2.1809	3.2830		1.7625	1.7625
H5	1.0855	2.1809	3.2830	1.7625		1.7625
H6	1.0855	2.1809	3.2830	1.7625	1.7625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.377
B2	C1	H5	110.377	B2	C1	H6	110.377
H4	C1	H5	108.551	H4	C1	H6	108.551
H5	C1	H6	108.551

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

using model chemistry: HF/CEP-121G*

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	-0.602
2	B	0.407
3	O	-0.426
4	H	0.207
5	H	0.207
6	H	0.207

	x	y	z	Total
	0.000	0.000	-3.972	3.972
CHELPG
AIM
ESP

<r²>	42.615
(<r²>)^1/2	6.528

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

using model chemistry: HF/CEP-121G*

States and conformations

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