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	hartrees
Energy at 0K	-139.431302
Energy at 298.15K	-139.433856
HF Energy	-139.166319
Nuclear repulsion energy	53.724185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3088	2896	0.39
2	A₁	1991	1867	152.76
3	A₁	1462	1371	29.61
4	A₁	825	773	0.83
5	E	3168	2971	4.40
5	E	3168	2971	4.40
6	E	1543	1447	10.11
6	E	1543	1447	10.11
7	E	999	937	29.68
7	E	999	937	29.68
8	E	353	331	14.53
8	E	353	331	14.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.306
B2	0.000	0.000	0.240
O3	0.000	0.000	1.466
H4	0.000	1.025	-1.695
H5	0.888	-0.513	-1.695
H6	-0.888	-0.513	-1.695

	C1	B2	O3	H4	H5	H6
C1		1.5462	2.7721	1.0965	1.0965	1.0965
B2	1.5462		1.2259	2.1896	2.1896	2.1896
O3	2.7721	1.2259		3.3228	3.3228	3.3228
H4	1.0965	2.1896	3.3228		1.7761	1.7761
H5	1.0965	2.1896	3.3228	1.7761		1.7761
H6	1.0965	2.1896	3.3228	1.7761	1.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.750
B2	C1	H5	110.750	B2	C1	H6	110.750
H4	C1	H5	108.163	H4	C1	H6	108.163
H5	C1	H6	108.163

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

using model chemistry: CISD/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: CISD/6-31G

States and conformations

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