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	hartrees
Energy at 0K	-139.934419
Energy at 298.15K	-139.936956
HF Energy	-139.789631
Nuclear repulsion energy	54.055462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	2958	0.00
2	A₁	1978	1902	168.63
3	A₁	1327	1277	10.43
4	A₁	821	789	0.10
5	E	3161	3040	0.94
5	E	3161	3040	0.94
6	E	1444	1389	5.05
6	E	1444	1389	5.09
7	E	911	877	21.59
7	E	911	877	21.56
8	E	362	348	11.83
8	E	362	348	11.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.297
B2	0.000	0.000	0.238
O3	0.000	0.000	1.454
H4	0.000	1.028	-1.680
H5	0.890	-0.514	-1.680
H6	-0.890	-0.514	-1.680

	C1	B2	O3	H4	H5	H6
C1		1.5356	2.7510	1.0973	1.0973	1.0973
B2	1.5356		1.2154	2.1770	2.1770	2.1770
O3	2.7510	1.2154		3.2987	3.2987	3.2987
H4	1.0973	2.1770	3.2987		1.7808	1.7808
H5	1.0973	2.1770	3.2987	1.7808		1.7808
H6	1.0973	2.1770	3.2987	1.7808	1.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.447
B2	C1	H5	110.447	B2	C1	H6	110.447
H4	C1	H5	108.478	H4	C1	H6	108.478
H5	C1	H6	108.478

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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