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	hartrees
Energy at 0K	-139.332335
Energy at 298.15K	-139.334811
HF Energy	-139.332335
Nuclear repulsion energy	54.448020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2987	2964	2.09
2	A₁	2010	1994	194.45
3	A₁	1261	1251	24.41
4	A₁	833	826	0.02
5	E	3072	3048	0.97
5	E	3072	3048	0.98
6	E	1374	1363	7.98
6	E	1374	1363	7.98
7	E	864	858	27.15
7	E	864	858	27.14
8	E	348	346	7.80
8	E	348	346	7.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.281
B2	0.000	0.000	0.233
O3	0.000	0.000	1.441
H4	0.000	1.028	-1.670
H5	0.890	-0.514	-1.670
H6	-0.890	-0.514	-1.670

	C1	B2	O3	H4	H5	H6
C1		1.5138	2.7220	1.0986	1.0986	1.0986
B2	1.5138		1.2083	2.1622	2.1622	2.1622
O3	2.7220	1.2083		3.2760	3.2760	3.2760
H4	1.0986	2.1622	3.2760		1.7797	1.7797
H5	1.0986	2.1622	3.2760	1.7797		1.7797
H6	1.0986	2.1622	3.2760	1.7797	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.718
B2	C1	H5	110.718	B2	C1	H6	110.718
H4	C1	H5	108.196	H4	C1	H6	108.196
H5	C1	H6	108.196

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

using model chemistry: SVWN/aug-cc-pVTZ

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	-0.555
2	B	0.233
3	O	-0.467
4	H	0.263
5	H	0.263
6	H	0.263

	x	y	z	Total
	0.000	0.000	-3.711	3.711
CHELPG
AIM
ESP

<r²>	49.798
(<r²>)^1/2	7.057

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

using model chemistry: SVWN/aug-cc-pVTZ

States and conformations

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