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	hartrees
Energy at 0K	-138.764617
Energy at 298.15K	-138.767171
HF Energy	-138.454435
Nuclear repulsion energy	52.916596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3029	2938
2	A₁	1834	1779
3	A₁	1440	1397
4	A₁	787	763
5	E	3099	3006
5	E	3099	3005
6	E	1543	1497
6	E	1543	1497
7	E	984	954
7	E	984	954
8	E	360	349
8	E	360	349

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.325
B2	0.000	0.000	0.230
O3	0.000	0.000	1.493
H4	0.000	1.030	-1.713
H5	0.892	-0.515	-1.713
H6	-0.892	-0.515	-1.713

	C1	B2	O3	H4	H5	H6
C1		1.5552	2.8178	1.1002	1.1002	1.1002
B2	1.5552		1.2626	2.1992	2.1992	2.1992
O3	2.8178	1.2626		3.3671	3.3671	3.3671
H4	1.1002	2.1992	3.3671		1.7832	1.7832
H5	1.1002	2.1992	3.3671	1.7832		1.7832
H6	1.1002	2.1992	3.3671	1.7832	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.653
B2	C1	H5	110.653	B2	C1	H6	110.653
H4	C1	H5	108.264	H4	C1	H6	108.264
H5	C1	H6	108.264

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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