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	hartrees
Energy at 0K	-138.718512
Energy at 298.15K	-138.721124
HF Energy	-138.458098
Nuclear repulsion energy	53.688737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3098	2882	0.05
2	A₁	2057	1914	107.38
3	A₁	1472	1370	39.38
4	A₁	833	775	0.03
5	E	3166	2946	2.10
5	E	3166	2946	2.10
6	E	1567	1458	9.88
6	E	1567	1458	9.88
7	E	1010	939	30.07
7	E	1010	939	30.07
8	E	376	350	8.86
8	E	376	350	8.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.307
B2	0.000	0.000	0.237
O3	0.000	0.000	1.467
H4	0.000	1.025	-1.693
H5	0.887	-0.512	-1.693
H6	-0.887	-0.512	-1.693

	C1	B2	O3	H4	H5	H6
C1		1.5438	2.7744	1.0949	1.0949	1.0949
B2	1.5438		1.2306	2.1850	2.1850	2.1850
O3	2.7744	1.2306		3.3223	3.3223	3.3223
H4	1.0949	2.1850	3.3223		1.7747	1.7747
H5	1.0949	2.1850	3.3223	1.7747		1.7747
H6	1.0949	2.1850	3.3223	1.7747	1.7747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.641
B2	C1	H5	110.641	B2	C1	H6	110.641
H4	C1	H5	108.276	H4	C1	H6	108.276
H5	C1	H6	108.276

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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