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	hartrees
Energy at 0K	-139.904619
Energy at 298.15K	-139.907119
HF Energy	-139.904619
Nuclear repulsion energy	54.033972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2989	2957	0.06
2	A₁	1978	1957	155.32
3	A₁	1312	1298	24.50
4	A₁	812	804	0.01
5	E	3063	3031	1.60
5	E	3063	3031	1.60
6	E	1432	1417	8.97
6	E	1432	1417	8.97
7	E	894	885	26.82
7	E	894	885	26.82
8	E	356	353	6.04
8	E	356	353	6.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.294
B2	0.000	0.000	0.238
O3	0.000	0.000	1.454
H4	0.000	1.028	-1.688
H5	0.890	-0.514	-1.688
H6	-0.890	-0.514	-1.688

	C1	B2	O3	H4	H5	H6
C1		1.5326	2.7486	1.1003	1.1003	1.1003
B2	1.5326		1.2160	2.1829	2.1829	2.1829
O3	2.7486	1.2160		3.3057	3.3057	3.3057
H4	1.1003	2.1829	3.3057		1.7798	1.7798
H5	1.1003	2.1829	3.3057	1.7798		1.7798
H6	1.1003	2.1829	3.3057	1.7798	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.948
B2	C1	H5	110.948	B2	C1	H6	110.948
H4	C1	H5	107.955	H4	C1	H6	107.955
H5	C1	H6	107.955

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

using model chemistry: PBEPBE/6-311G*

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	-0.874
2	B	0.329
3	O	-0.219
4	H	0.255
5	H	0.255
6	H	0.255

	x	y	z	Total
	0.000	0.000	-3.381	3.381
CHELPG
AIM
ESP

<r²>	50.430
(<r²>)^1/2	7.101

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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