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	hartrees
Energy at 0K	-139.726499
Energy at 298.15K	-139.729049
HF Energy	-139.274606
Nuclear repulsion energy	54.113327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3084	2946	0.43
2	A₁	2018	1928	151.89
3	A₁	1371	1310	10.37
4	A₁	821	784	0.04
5	E	3168	3026	2.16
5	E	3168	3026	2.16
6	E	1487	1420	6.42
6	E	1487	1420	6.42
7	E	936	894	19.04
7	E	936	894	19.04
8	E	362	346	13.85
8	E	362	346	13.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.301
B2	0.000	0.000	0.242
O3	0.000	0.000	1.454
H4	0.000	1.023	-1.678
H5	0.886	-0.512	-1.678
H6	-0.886	-0.512	-1.678

	C1	B2	O3	H4	H5	H6
C1		1.5422	2.7542	1.0906	1.0906	1.0906
B2	1.5422		1.2121	2.1754	2.1754	2.1754
O3	2.7542	1.2121		3.2947	3.2947	3.2947
H4	1.0906	2.1754	3.2947		1.7722	1.7722
H5	1.0906	2.1754	3.2947	1.7722		1.7722
H6	1.0906	2.1754	3.2947	1.7722	1.7722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.254
B2	C1	H5	110.254	B2	C1	H6	110.254
H4	C1	H5	108.677	H4	C1	H6	108.677
H5	C1	H6	108.677

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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