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	hartrees
Energy at 0K	-26.247616
Energy at 298.15K	-26.250152
HF Energy	-26.247616
Nuclear repulsion energy	28.039216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3054	2957	0.26
2	A₁	1948	1886	177.33
3	A₁	1400	1356	46.01
4	A₁	817	791	1.71
5	E	3148	3049	11.29
5	E	3148	3049	11.30
6	E	1486	1439	15.21
6	E	1486	1439	15.21
7	E	952	922	28.97
7	E	952	922	28.96
8	E	358	347	10.51
8	E	358	347	10.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.312
B2	0.000	0.000	0.237
O3	0.000	0.000	1.473
H4	0.000	1.032	-1.698
H5	0.894	-0.516	-1.698
H6	-0.894	-0.516	-1.698

	C1	B2	O3	H4	H5	H6
C1		1.5488	2.7855	1.1021	1.1021	1.1021
B2	1.5488		1.2367	2.1929	2.1929	2.1929
O3	2.7855	1.2367		3.3352	3.3352	3.3352
H4	1.1021	2.1929	3.3352		1.7880	1.7880
H5	1.1021	2.1929	3.3352	1.7880		1.7880
H6	1.1021	2.1929	3.3352	1.7880	1.7880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.497
B2	C1	H5	110.497	B2	C1	H6	110.497
H4	C1	H5	108.426	H4	C1	H6	108.426
H5	C1	H6	108.426

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

using model chemistry: B3LYP/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	-0.259
2	B	-0.178
3	O	-0.142
4	H	0.193
5	H	0.193
6	H	0.193

	x	y	z	Total
	0.000	0.000	-4.064	4.064
CHELPG
AIM
ESP

<r²>	43.525
(<r²>)^1/2	6.597

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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