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	hartrees
Energy at 0K	-140.035939
Energy at 298.15K	-140.038496
HF Energy	-140.035939
Nuclear repulsion energy	54.399717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3074	3074	0.10
2	A₁	2063	2063	204.68
3	A₁	1367	1367	24.63
4	A₁	826	826	0.16
5	E	3154	3154	2.00
5	E	3154	3154	2.01
6	E	1487	1487	9.37
6	E	1487	1487	9.35
7	E	930	930	31.24
7	E	930	930	31.17
8	E	370	370	11.38
8	E	370	370	11.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.290
B2	0.000	0.000	0.243
O3	0.000	0.000	1.444
H4	0.000	1.021	-1.677
H5	0.884	-0.511	-1.677
H6	-0.884	-0.511	-1.677

	C1	B2	O3	H4	H5	H6
C1		1.5323	2.7341	1.0921	1.0921	1.0921
B2	1.5323		1.2018	2.1742	2.1742	2.1742
O3	2.7341	1.2018		3.2840	3.2840	3.2840
H4	1.0921	2.1742	3.2840		1.7688	1.7688
H5	1.0921	2.1742	3.2840	1.7688		1.7688
H6	1.0921	2.1742	3.2840	1.7688	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.760
B2	C1	H5	110.760	B2	C1	H6	110.760
H4	C1	H5	108.152	H4	C1	H6	108.152
H5	C1	H6	108.152

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

using model chemistry: wB97X-D/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	-0.895
2	B	0.380
3	O	-0.261
4	H	0.259
5	H	0.259
6	H	0.259

	x	y	z	Total
	0.000	0.000	-3.553	3.553
CHELPG
AIM
ESP

	x	y	z
x	2.920	0.000	0.000
y	0.000	2.920	-0.000
z	0.000	-0.000	4.595

<r²>	49.981
(<r²>)^1/2	7.070

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

using model chemistry: wB97X-D/6-311G*

States and conformations

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