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	hartrees
Energy at 0K	-140.027272
Energy at 298.15K	-140.029819
HF Energy	-140.027272
Nuclear repulsion energy	54.484196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3067	3067	0.41
2	A₁	2092	2092	224.52
3	A₁	1340	1340	20.86
4	A₁	833	833	0.11
5	E	3150	3150
5	E	3150	3150	0.00
6	E	1465	1465	8.28
6	E	1465	1465	8.21
7	E	919	919	31.21
7	E	918	918	30.96
8	E	364	364	11.86
8	E	364	364	11.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.290
B2	0.000	0.000	0.242
O3	0.000	0.000	1.442
H4	0.000	1.022	-1.669
H5	0.885	-0.511	-1.669
H6	-0.885	-0.511	-1.669

	C1	B2	O3	H4	H5	H6
C1		1.5320	2.7312	1.0905	1.0905	1.0905
B2	1.5320		1.1992	2.1681	2.1681	2.1681
O3	2.7312	1.1992		3.2748	3.2748	3.2748
H4	1.0905	2.1681	3.2748		1.7705	1.7705
H5	1.0905	2.1681	3.2748	1.7705		1.7705
H6	1.0905	2.1681	3.2748	1.7705	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.390
B2	C1	H5	110.390	B2	C1	H6	110.390
H4	C1	H5	108.537	H4	C1	H6	108.537
H5	C1	H6	108.537

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

using model chemistry: M06-2X/6-311G**

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	-0.596
2	B	0.367
3	O	-0.296
4	H	0.175
5	H	0.175
6	H	0.175

	x	y	z	Total
	0.000	0.000	-3.571	3.571
CHELPG
AIM
ESP

	x	y	z
x	2.919	0.000	0.000
y	0.000	2.915	0.001
z	0.000	0.001	4.588

<r²>	49.882
(<r²>)^1/2	7.063

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

using model chemistry: M06-2X/6-311G**

States and conformations

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