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	hartrees
Energy at 0K	-139.647439
Energy at 298.15K	-139.650038
HF Energy	-139.258542
Nuclear repulsion energy	54.420337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3131	2897	0.08
2	A₁	2103	1946	191.83
3	A₁	1412	1307	20.77
4	A₁	836	773	0.37
5	E	3213	2973	2.07
5	E	3213	2973	2.07
6	E	1529	1415	8.73
6	E	1529	1415	8.73
7	E	965	893	29.15
7	E	965	893	29.15
8	E	379	350	13.30
8	E	379	350	13.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.293
B2	0.000	0.000	0.246
O3	0.000	0.000	1.444
H4	0.000	1.020	-1.675
H5	0.883	-0.510	-1.675
H6	-0.883	-0.510	-1.675

	C1	B2	O3	H4	H5	H6
C1		1.5388	2.7376	1.0889	1.0889	1.0889
B2	1.5388		1.1987	2.1743	2.1743	2.1743
O3	2.7376	1.1987		3.2815	3.2815	3.2815
H4	1.0889	2.1743	3.2815		1.7665	1.7665
H5	1.0889	2.1743	3.2815	1.7665		1.7665
H6	1.0889	2.1743	3.2815	1.7665	1.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.505
B2	C1	H5	110.505	B2	C1	H6	110.505
H4	C1	H5	108.418	H4	C1	H6	108.418
H5	C1	H6	108.418

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

using model chemistry: CISD/6-311G*

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/6-311G*

States and conformations

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