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	hartrees
Energy at 0K	-139.642508
Energy at 298.15K	-139.645024
HF Energy	-139.222940
Nuclear repulsion energy	53.846402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3072	2947
2	A₁	2013	1931
3	A₁	1394	1337
4	A₁	819	786
5	E	3157	3028
5	E	3156	3028
6	E	1510	1449
6	E	1510	1448
7	E	949	910
7	E	949	910
8	E	351	337
8	E	351	336

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.305
B2	0.000	0.000	0.241
O3	0.000	0.000	1.461
H4	0.000	1.027	-1.688
H5	0.890	-0.514	-1.688
H6	-0.890	-0.514	-1.688

	C1	B2	O3	H4	H5	H6
C1		1.5460	2.7660	1.0964	1.0964	1.0964
B2	1.5460		1.2200	2.1856	2.1856	2.1856
O3	2.7660	1.2200		3.3124	3.3124	3.3124
H4	1.0964	2.1856	3.3124		1.7793	1.7793
H5	1.0964	2.1856	3.3124	1.7793		1.7793
H6	1.0964	2.1856	3.3124	1.7793	1.7793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.450
B2	C1	H5	110.450	B2	C1	H6	110.450
H4	C1	H5	108.475	H4	C1	H6	108.475
H5	C1	H6	108.475

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

using model chemistry: QCISD(T)/6-31G*

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(T)/6-31G*

States and conformations

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