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	hartrees
Energy at 0K	-139.998743
Energy at 298.15K	-140.001267
HF Energy	-139.998743
Nuclear repulsion energy	54.181871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	2934	0.01
2	A₁	2065	1959	187.79
3	A₁	1380	1309	24.27
4	A₁	821	779	0.16
5	E	3180	3016	0.93
5	E	3180	3016	0.94
6	E	1499	1421	8.47
6	E	1499	1421	8.48
7	E	933	885	30.77
7	E	933	885	30.70
8	E	358	340	11.09
8	E	358	340	11.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.297
B2	0.000	0.000	0.243
O3	0.000	0.000	1.451
H4	0.000	1.024	-1.681
H5	0.887	-0.512	-1.681
H6	-0.887	-0.512	-1.681

	C1	B2	O3	H4	H5	H6
C1		1.5400	2.7475	1.0938	1.0938	1.0938
B2	1.5400		1.2075	2.1795	2.1795	2.1795
O3	2.7475	1.2075		3.2946	3.2946	3.2946
H4	1.0938	2.1795	3.2946		1.7741	1.7741
H5	1.0938	2.1795	3.2946	1.7741		1.7741
H6	1.0938	2.1795	3.2946	1.7741	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.543
B2	C1	H5	110.543	B2	C1	H6	110.543
H4	C1	H5	108.378	H4	C1	H6	108.378
H5	C1	H6	108.378

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

using model chemistry: wB97X-D/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: wB97X-D/6-31G*

States and conformations

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