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	hartrees
Energy at 0K	-140.054755
Energy at 298.15K	-140.057271
HF Energy	-140.054755
Nuclear repulsion energy	54.174998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3062	2942	0.00
2	A₁	2041	1961	169.46
3	A₁	1356	1303	17.68
4	A₁	819	787	0.04
5	E	3141	3017	1.38
5	E	3141	3017	1.38
6	E	1473	1416	6.03
6	E	1473	1416	6.03
7	E	922	886	26.11
7	E	922	886	26.11
8	E	355	341	9.22
8	E	355	341	9.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.296
B2	0.000	0.000	0.241
O3	0.000	0.000	1.451
H4	0.000	1.024	-1.680
H5	0.887	-0.512	-1.680
H6	-0.887	-0.512	-1.680

	C1	B2	O3	H4	H5	H6
C1		1.5366	2.7467	1.0939	1.0939	1.0939
B2	1.5366		1.2101	2.1769	2.1769	2.1769
O3	2.7467	1.2101		3.2943	3.2943	3.2943
H4	1.0939	2.1769	3.2943		1.7738	1.7738
H5	1.0939	2.1769	3.2943	1.7738		1.7738
H6	1.0939	2.1769	3.2943	1.7738	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.573
B2	C1	H5	110.573	B2	C1	H6	110.573
H4	C1	H5	108.348	H4	C1	H6	108.348
H5	C1	H6	108.348

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

using model chemistry: B3LYP/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	-0.492
2	B	0.340
3	O	-0.312
4	H	0.155
5	H	0.155
6	H	0.155

	x	y	z	Total
	0.000	0.000	-3.405	3.405
CHELPG
AIM
ESP

<r²>	50.041
(<r²>)^1/2	7.074

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

using model chemistry: B3LYP/6-31G**

States and conformations

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