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	hartrees
Energy at 0K	-139.286085
Energy at 298.15K	-139.288547
HF Energy	-139.286085
Nuclear repulsion energy	54.269156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2998	2976	1.74
2	A₁	1991	1976	193.70
3	A₁	1237	1228	21.95
4	A₁	835	828	0.21
5	E	3093	3069	0.67
5	E	3093	3069	0.67
6	E	1348	1338	7.58
6	E	1348	1338	7.57
7	E	848	842	26.26
7	E	848	842	26.25
8	E	348	346	6.99
8	E	348	346	6.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.283
B2	0.000	0.000	0.232
O3	0.000	0.000	1.445
H4	0.000	1.035	-1.673
H5	0.896	-0.518	-1.673
H6	-0.896	-0.518	-1.673

	C1	B2	O3	H4	H5	H6
C1		1.5149	2.7278	1.1059	1.1059	1.1059
B2	1.5149		1.2129	2.1676	2.1676	2.1676
O3	2.7278	1.2129		3.2847	3.2847	3.2847
H4	1.1059	2.1676	3.2847		1.7928	1.7928
H5	1.1059	2.1676	3.2847	1.7928		1.7928
H6	1.1059	2.1676	3.2847	1.7928	1.7928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.626
B2	C1	H5	110.626	B2	C1	H6	110.626
H4	C1	H5	108.292	H4	C1	H6	108.292
H5	C1	H6	108.292

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

using model chemistry: SVWN/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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Number	Element	Mulliken
1	C	0.767
2	B	0.023
3	O	-0.087
4	H	-0.234
5	H	-0.234
6	H	-0.234

	x	y	z	Total
	0.000	0.000	-3.695	3.695
CHELPG
AIM
ESP

<r²>	50.033
(<r²>)^1/2	7.073

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

using model chemistry: SVWN/aug-cc-pVDZ

States and conformations

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