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	hartrees
Energy at 0K	-140.020653
Energy at 298.15K	-140.023137
HF Energy	-140.020653
Nuclear repulsion energy	53.822481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2976	2970	0.06
2	A₁	1935	1931	177.12
3	A₁	1281	1279	10.99
4	A₁	802	800	0.03
5	E	3046	3040	1.36
5	E	3046	3040	1.36
6	E	1391	1389	4.85
6	E	1391	1389	4.85
7	E	880	879	19.47
7	E	880	879	19.46
8	E	351	350	9.16
8	E	351	350	9.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.299
B2	0.000	0.000	0.238
O3	0.000	0.000	1.460
H4	0.000	1.034	-1.690
H5	0.896	-0.517	-1.690
H6	-0.896	-0.517	-1.690

	C1	B2	O3	H4	H5	H6
C1		1.5368	2.7589	1.1053	1.1053	1.1053
B2	1.5368		1.2221	2.1870	2.1870	2.1870
O3	2.7589	1.2221		3.3146	3.3146	3.3146
H4	1.1053	2.1870	3.3146		1.7912	1.7912
H5	1.1053	2.1870	3.3146	1.7912		1.7912
H6	1.1053	2.1870	3.3146	1.7912	1.7912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.673
B2	C1	H5	110.673	B2	C1	H6	110.673
H4	C1	H5	108.243	H4	C1	H6	108.243
H5	C1	H6	108.243

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

using model chemistry: BLYP/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	1.193
2	B	0.081
3	O	-0.132
4	H	-0.381
5	H	-0.381
6	H	-0.381

	x	y	z	Total
	0.000	0.000	-3.627	3.627
CHELPG
AIM
ESP

<r²>	51.002
(<r²>)^1/2	7.142

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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