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	hartrees
Energy at 0K	-138.751829
Energy at 298.15K	-138.754391
HF Energy	-138.456635
Nuclear repulsion energy	53.263118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3026	2909	0.69
2	A₁	1957	1881	60.56
3	A₁	1445	1389	33.61
4	A₁	807	775	0.08
5	E	3094	2973	3.41
5	E	3094	2973	3.41
6	E	1542	1482	8.66
6	E	1542	1482	8.66
7	E	989	950	25.03
7	E	989	950	25.03
8	E	362	347	6.35
8	E	362	347	6.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.317
B2	0.000	0.000	0.235
O3	0.000	0.000	1.480
H4	0.000	1.029	-1.706
H5	0.891	-0.515	-1.706
H6	-0.891	-0.515	-1.706

	C1	B2	O3	H4	H5	H6
C1		1.5523	2.7973	1.1003	1.1003	1.1003
B2	1.5523		1.2450	2.1969	2.1969	2.1969
O3	2.7973	1.2450		3.3480	3.3480	3.3480
H4	1.1003	2.1969	3.3480		1.7830	1.7830
H5	1.1003	2.1969	3.3480	1.7830		1.7830
H6	1.1003	2.1969	3.3480	1.7830	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.677
B2	C1	H5	110.677	B2	C1	H6	110.677
H4	C1	H5	108.239	H4	C1	H6	108.239
H5	C1	H6	108.239

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

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

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