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	hartrees
Energy at 0K	-139.921826
Energy at 298.15K	-139.924311
HF Energy	-139.921826
Nuclear repulsion energy	54.027738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2985	2965	0.10
2	A₁	1968	1954	162.71
3	A₁	1285	1276	17.13
4	A₁	811	805	0.02
5	E	3061	3039	0.31
5	E	3061	3039	0.31
6	E	1405	1396	5.70
6	E	1405	1396	5.70
7	E	880	874	22.54
7	E	880	874	22.53
8	E	350	348	7.29
8	E	350	348	7.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.296
B2	0.000	0.000	0.237
O3	0.000	0.000	1.455
H4	0.000	1.028	-1.683
H5	0.890	-0.514	-1.683
H6	-0.890	-0.514	-1.683

	C1	B2	O3	H4	H5	H6
C1		1.5334	2.7507	1.0984	1.0984	1.0984
B2	1.5334		1.2174	2.1786	2.1786	2.1786
O3	2.7507	1.2174		3.3023	3.3023	3.3023
H4	1.0984	2.1786	3.3023		1.7802	1.7802
H5	1.0984	2.1786	3.3023	1.7802		1.7802
H6	1.0984	2.1786	3.3023	1.7802	1.7802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.658
B2	C1	H5	110.658	B2	C1	H6	110.658
H4	C1	H5	108.258	H4	C1	H6	108.258
H5	C1	H6	108.258

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

using model chemistry: PBEPBE/cc-pVTZ

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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Number	Element	Mulliken
1	C	-0.289
2	B	0.060
3	O	-0.169
4	H	0.133
5	H	0.133
6	H	0.133

	x	y	z	Total
	0.000	0.000	-3.547	3.547
CHELPG
AIM
ESP

<r²>	50.480
(<r²>)^1/2	7.105

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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