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	hartrees
Energy at 0K	-138.737170
Energy at 298.15K	-138.739766
HF Energy	-138.456490
Nuclear repulsion energy	53.288174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3087	2946	0.19
2	A₁	1954	1865	34.94
3	A₁	1459	1393	35.56
4	A₁	816	779	0.56
5	E	3161	3017	1.85
5	E	3161	3017	1.85
6	E	1565	1494	9.21
6	E	1565	1494	9.21
7	E	1000	955	24.52
7	E	1000	955	24.52
8	E	371	354	4.09
8	E	371	354	4.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.316
B2	0.000	0.000	0.232
O3	0.000	0.000	1.481
H4	0.000	1.026	-1.703
H5	0.888	-0.513	-1.703
H6	-0.888	-0.513	-1.703

	C1	B2	O3	H4	H5	H6
C1		1.5477	2.7972	1.0959	1.0959	1.0959
B2	1.5477		1.2494	2.1891	2.1891	2.1891
O3	2.7972	1.2494		3.3445	3.3445	3.3445
H4	1.0959	2.1891	3.3445		1.7764	1.7764
H5	1.0959	2.1891	3.3445	1.7764		1.7764
H6	1.0959	2.1891	3.3445	1.7764	1.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.638
B2	C1	H5	110.638	B2	C1	H6	110.638
H4	C1	H5	108.280	H4	C1	H6	108.280
H5	C1	H6	108.280

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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