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	hartrees
Energy at 0K	-140.014267
Energy at 298.15K	-140.016743
HF Energy	-140.014267
Nuclear repulsion energy	53.756141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2979	2963	0.32
2	A₁	1948	1938	181.04
3	A₁	1313	1306	16.95
4	A₁	795	791	0.01
5	E	3050	3033	1.57
5	E	3050	3033	1.57
6	E	1429	1421	7.76
6	E	1429	1421	7.76
7	E	897	892	23.76
7	E	897	892	23.76
8	E	348	346	9.71
8	E	348	346	9.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.303
B2	0.000	0.000	0.239
O3	0.000	0.000	1.463
H4	0.000	1.031	-1.693
H5	0.892	-0.515	-1.693
H6	-0.892	-0.515	-1.693

	C1	B2	O3	H4	H5	H6
C1		1.5427	2.7663	1.1018	1.1018	1.1018
B2	1.5427		1.2236	2.1902	2.1902	2.1902
O3	2.7663	1.2236		3.3202	3.3202	3.3202
H4	1.1018	2.1902	3.3202		1.7849	1.7849
H5	1.1018	2.1902	3.3202	1.7849		1.7849
H6	1.1018	2.1902	3.3202	1.7849	1.7849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.725
B2	C1	H5	110.725	B2	C1	H6	110.725
H4	C1	H5	108.189	H4	C1	H6	108.189
H5	C1	H6	108.189

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

using model chemistry: BLYP/6-31+G**

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	-0.643
2	B	0.662
3	O	-0.580
4	H	0.187
5	H	0.187
6	H	0.187

	x	y	z	Total
	0.000	0.000	-3.697	3.697
CHELPG
AIM
ESP

<r²>	51.167
(<r²>)^1/2	7.153

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

using model chemistry: BLYP/6-31+G**

States and conformations

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