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	hartrees
Energy at 0K	-138.015860
Energy at 298.15K	-138.018326
HF Energy	-137.952471
Nuclear repulsion energy	53.751731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3350	3350	1.10
2	A₁	2164	2164	6.60
3	A₁	1558	1558	3.64
4	A₁	869	869	0.64
5	E	3513	3513	0.23
5	E	3513	3513	0.23
6	E	1696	1696	2.79
6	E	1696	1696	2.79
7	E	1055	1055	21.98
7	E	1055	1055	21.98
8	E	363	363	4.86
8	E	363	363	4.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.307
B2	0.000	0.000	0.247
O3	0.000	0.000	1.464
H4	0.000	1.026	-1.702
H5	0.889	-0.513	-1.702
H6	-0.889	-0.513	-1.702

	C1	B2	O3	H4	H5	H6
C1		1.5547	2.7712	1.0996	1.0996	1.0996
B2	1.5547		1.2165	2.2029	2.2029	2.2029
O3	2.7712	1.2165		3.3279	3.3279	3.3279
H4	1.0996	2.2029	3.3279		1.7779	1.7779
H5	1.0996	2.2029	3.3279	1.7779		1.7779
H6	1.0996	2.2029	3.3279	1.7779	1.7779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	111.021
B2	C1	H5	111.021	B2	C1	H6	111.021
H4	C1	H5	107.878	H4	C1	H6	107.878
H5	C1	H6	107.878

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

using model chemistry: B2PLYP=FULL/STO-3G

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: B2PLYP=FULL/STO-3G

States and conformations

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