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	hartrees
Energy at 0K	-139.869473
Energy at 298.15K	-139.871932
HF Energy	-139.869473
Nuclear repulsion energy	53.848960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3004	2963	0.06
2	A₁	1977	1950	142.10
3	A₁	1301	1283	20.49
4	A₁	809	798	0.00
5	E	3090	3048	0.43
5	E	3090	3048	0.43
6	E	1423	1403	6.83
6	E	1423	1403	6.83
7	E	886	874	25.08
7	E	886	874	25.08
8	E	342	337	5.43
8	E	342	337	5.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.301
B2	0.000	0.000	0.238
O3	0.000	0.000	1.460
H4	0.000	1.031	-1.688
H5	0.893	-0.515	-1.688
H6	-0.893	-0.515	-1.688

	C1	B2	O3	H4	H5	H6
C1		1.5386	2.7605	1.1012	1.1012	1.1012
B2	1.5386		1.2219	2.1847	2.1847	2.1847
O3	2.7605	1.2219		3.3127	3.3127	3.3127
H4	1.1012	2.1847	3.3127		1.7852	1.7852
H5	1.1012	2.1847	3.3127	1.7852		1.7852
H6	1.1012	2.1847	3.3127	1.7852	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.617
B2	C1	H5	110.617	B2	C1	H6	110.617
H4	C1	H5	108.302	H4	C1	H6	108.302
H5	C1	H6	108.302

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

using model chemistry: PBEPBEultrafine/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	-0.543
2	B	0.307
3	O	-0.278
4	H	0.171
5	H	0.171
6	H	0.171

	x	y	z	Total
	0.000	0.000	-3.303	3.303
CHELPG
AIM
ESP

<r²>	50.362
(<r²>)^1/2	7.097

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

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

States and conformations

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