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	hartrees
Energy at 0K	-139.803991
Energy at 298.15K	-139.806535
HF Energy	-139.278263
Nuclear repulsion energy	54.130944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3068	2953	0.00
2	A₁	2012	1936	171.26
3	A₁	1360	1309	9.30
4	A₁	818	787	0.04
5	E	3150	3031	1.12
5	E	3150	3031	1.12
6	E	1485	1429	4.75
6	E	1485	1429	4.75
7	E	931	896	21.68
7	E	931	896	21.68
8	E	360	346	14.40
8	E	360	346	14.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.300
B2	0.000	0.000	0.242
O3	0.000	0.000	1.453
H4	0.000	1.022	-1.679
H5	0.885	-0.511	-1.679
H6	-0.885	-0.511	-1.679

	C1	B2	O3	H4	H5	H6
C1		1.5419	2.7534	1.0899	1.0899	1.0899
B2	1.5419		1.2115	2.1760	2.1760	2.1760
O3	2.7534	1.2115		3.2951	3.2951	3.2951
H4	1.0899	2.1760	3.2951		1.7699	1.7699
H5	1.0899	2.1760	3.2951	1.7699		1.7699
H6	1.0899	2.1760	3.2951	1.7699	1.7699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.360
B2	C1	H5	110.360	B2	C1	H6	110.360
H4	C1	H5	108.568	H4	C1	H6	108.568
H5	C1	H6	108.568

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

using model chemistry: QCISD/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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All results from a given calculation for CH3BO (Borane, methyloxo-)

using model chemistry: QCISD/aug-cc-pVTZ

States and conformations

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