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	hartrees
Energy at 0K	-139.943450
Energy at 298.15K	-139.945994
HF Energy	-139.943450
Nuclear repulsion energy	54.122393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3088	3088	0.23
2	A₁	2026	2026	189.81
3	A₁	1415	1415	41.70
4	A₁	839	839	0.80
5	E	3176	3176	0.25
5	E	3176	3176	0.27
6	E	1508	1508	13.23
6	E	1508	1508	13.16
7	E	965	965	37.18
7	E	965	965	37.27
8	E	353	353	11.23
8	E	353	353	11.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.294
B2	0.000	0.000	0.236
O3	0.000	0.000	1.453
H4	0.000	1.023	-1.680
H5	0.886	-0.511	-1.680
H6	-0.886	-0.511	-1.680

	C1	B2	O3	H4	H5	H6
C1		1.5300	2.7479	1.0928	1.0928	1.0928
B2	1.5300		1.2179	2.1711	2.1711	2.1711
O3	2.7479	1.2179		3.2958	3.2958	3.2958
H4	1.0928	2.1711	3.2958		1.7712	1.7712
H5	1.0928	2.1711	3.2958	1.7712		1.7712
H6	1.0928	2.1711	3.2958	1.7712	1.7712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.640
B2	C1	H5	110.640	B2	C1	H6	110.640
H4	C1	H5	108.278	H4	C1	H6	108.278
H5	C1	H6	108.278

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

using model chemistry: M06-2X/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	-0.668
2	B	0.427
3	O	-0.380
4	H	0.207
5	H	0.207
6	H	0.207

	x	y	z	Total
	0.000	0.000	-3.704	3.704
CHELPG
AIM
ESP

	x	y	z
x	2.551	0.000	0.000
y	0.000	2.550	-0.000
z	0.000	-0.000	4.356

<r²>	50.337
(<r²>)^1/2	7.095

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

using model chemistry: M06-2X/6-31G

States and conformations

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