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	hartrees
Energy at 0K	-140.003217
Energy at 298.15K	-140.005743
HF Energy	-140.003217
Nuclear repulsion energy	54.220466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3091	3091	0.01
2	A₁	2065	2065	190.16
3	A₁	1361	1361	22.36
4	A₁	823	823	0.10
5	E	3182	3182	0.83
5	E	3182	3182	0.84
6	E	1480	1480	7.61
6	E	1480	1480	7.59
7	E	925	925	29.66
7	E	925	925	29.60
8	E	358	358	10.97
8	E	358	358	10.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.296
B2	0.000	0.000	0.242
O3	0.000	0.000	1.450
H4	0.000	1.024	-1.678
H5	0.887	-0.512	-1.678
H6	-0.887	-0.512	-1.678

	C1	B2	O3	H4	H5	H6
C1		1.5380	2.7456	1.0927	1.0927	1.0927
B2	1.5380		1.2075	2.1760	2.1760	2.1760
O3	2.7456	1.2075		3.2910	3.2910	3.2910
H4	1.0927	2.1760	3.2910		1.7731	1.7731
H5	1.0927	2.1760	3.2910	1.7731		1.7731
H6	1.0927	2.1760	3.2910	1.7731	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.470
B2	C1	H5	110.470	B2	C1	H6	110.470
H4	C1	H5	108.454	H4	C1	H6	108.454
H5	C1	H6	108.454

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

using model chemistry: wB97X-D/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	-0.579
2	B	0.371
3	O	-0.322
4	H	0.177
5	H	0.177
6	H	0.177

	x	y	z	Total
	0.000	0.000	-3.493	3.493
CHELPG
AIM
ESP

	x	y	z
x	2.761	0.000	0.000
y	0.000	2.761	-0.000
z	0.000	-0.000	4.371

<r²>	49.975
(<r²>)^1/2	7.069

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

using model chemistry: wB97X-D/6-31G**

States and conformations

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