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	hartrees
Energy at 0K	-139.230261
Energy at 298.15K	-139.232896
HF Energy	-139.230261
Nuclear repulsion energy	54.556325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3200	2888	0.24
2	A₁	2184	1972	278.32
3	A₁	1475	1331	15.35
4	A₁	845	763	1.10
5	E	3280	2961	3.90
5	E	3280	2961	3.90
6	E	1584	1430	5.80
6	E	1584	1430	5.80
7	E	1001	903	33.86
7	E	1001	903	33.86
8	E	387	350	23.62
8	E	387	350	23.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.294
B2	0.000	0.000	0.251
O3	0.000	0.000	1.441
H4	0.000	1.016	-1.672
H5	0.880	-0.508	-1.672
H6	-0.880	-0.508	-1.672

	C1	B2	O3	H4	H5	H6
C1		1.5453	2.7356	1.0843	1.0843	1.0843
B2	1.5453		1.1902	2.1751	2.1751	2.1751
O3	2.7356	1.1902		3.2749	3.2749	3.2749
H4	1.0843	2.1751	3.2749		1.7604	1.7604
H5	1.0843	2.1751	3.2749	1.7604		1.7604
H6	1.0843	2.1751	3.2749	1.7604	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.382
B2	C1	H5	110.382	B2	C1	H6	110.382
H4	C1	H5	108.546	H4	C1	H6	108.546
H5	C1	H6	108.546

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.573
2	B	0.491
3	O	-0.415
4	H	0.166
5	H	0.166
6	H	0.166

	x	y	z	Total
	0.000	0.000	-3.830	3.830
CHELPG
AIM
ESP

<r²>	49.967
(<r²>)^1/2	7.069

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

using model chemistry: HF/6-31G**

States and conformations

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