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	hartrees
Energy at 0K	-25.628446
Energy at 298.15K	-25.631116
HF Energy	-25.628446
Nuclear repulsion energy	28.345202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	2909	2.06
2	A₁	2089	1883	287.55
3	A₁	1526	1375	34.87
4	A₁	854	769	6.08
5	E	3323	2996	17.59
5	E	3323	2996	17.59
6	E	1604	1446	14.35
6	E	1604	1446	14.35
7	E	1042	939	34.42
7	E	1042	939	34.42
8	E	396	357	28.29
8	E	396	357	28.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.305
B2	0.000	0.000	0.243
O3	0.000	0.000	1.458
H4	0.000	1.020	-1.684
H5	0.883	-0.510	-1.684
H6	-0.883	-0.510	-1.684

	C1	B2	O3	H4	H5	H6
C1		1.5476	2.7624	1.0880	1.0880	1.0880
B2	1.5476		1.2148	2.1802	2.1802	2.1802
O3	2.7624	1.2148		3.3031	3.3031	3.3031
H4	1.0880	2.1802	3.3031		1.7662	1.7662
H5	1.0880	2.1802	3.3031	1.7662		1.7662
H6	1.0880	2.1802	3.3031	1.7662	1.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.406
B2	C1	H5	110.406	B2	C1	H6	110.406
H4	C1	H5	108.520	H4	C1	H6	108.520
H5	C1	H6	108.520

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

using model chemistry: HF/CEP-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	-0.218
2	B	0.014
3	O	-0.284
4	H	0.163
5	H	0.163
6	H	0.163

	x	y	z	Total
	0.000	0.000	-4.462	4.462
CHELPG
AIM
ESP

<r²>	43.250
(<r²>)^1/2	6.576

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

using model chemistry: HF/CEP-31G

States and conformations

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