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	hartrees
Energy at 0K	-138.516259
Energy at 298.15K	-138.518810
HF Energy	-138.516259
Nuclear repulsion energy	53.812802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2988	2939	1.88
2	A₁	1994	1961	97.33
3	A₁	1350	1328	66.93
4	A₁	840	827	0.00
5	E	3071	3021	0.36
5	E	3071	3021	0.36
6	E	1456	1432	15.84
6	E	1456	1432	15.84
7	E	919	904	39.08
7	E	919	904	39.08
8	E	367	361	1.47
8	E	367	361	1.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.292
B2	0.000	0.000	0.224
O3	0.000	0.000	1.461
H4	0.000	1.033	-1.685
H5	0.895	-0.517	-1.685
H6	-0.895	-0.517	-1.685

	C1	B2	O3	H4	H5	H6
C1		1.5166	2.7528	1.1054	1.1054	1.1054
B2	1.5166		1.2362	2.1710	2.1710	2.1710
O3	2.7528	1.2362		3.3109	3.3109	3.3109
H4	1.1054	2.1710	3.3109		1.7898	1.7898
H5	1.1054	2.1710	3.3109	1.7898		1.7898
H6	1.1054	2.1710	3.3109	1.7898	1.7898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.808
B2	C1	H5	110.808	B2	C1	H6	110.808
H4	C1	H5	108.101	H4	C1	H6	108.101
H5	C1	H6	108.102

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

using model chemistry: LSDA/3-21G

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	-0.940
2	B	0.432
3	O	-0.281
4	H	0.263
5	H	0.263
6	H	0.263

	x	y	z	Total
	0.000	0.000	-3.221	3.221
CHELPG
AIM
ESP

<r²>	50.318
(<r²>)^1/2	7.094

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

using model chemistry: LSDA/3-21G

States and conformations

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