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	hartrees
Energy at 0K	-140.043703
Energy at 298.15K	-140.046217
HF Energy	-140.043703
Nuclear repulsion energy	53.985636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2971	2964	0.52
2	A₁	1968	1963	150.97
3	A₁	1332	1329	20.62
4	A₁	801	799	0.00
5	E	3032	3024	4.08
5	E	3032	3024	4.08
6	E	1447	1443	7.67
6	E	1447	1443	7.67
7	E	909	907	24.42
7	E	909	907	24.42
8	E	360	359	6.93
8	E	360	359	6.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.297
B2	0.000	0.000	0.241
O3	0.000	0.000	1.456
H4	0.000	1.026	-1.691
H5	0.889	-0.513	-1.691
H6	-0.889	-0.513	-1.691

	C1	B2	O3	H4	H5	H6
C1		1.5375	2.7529	1.0997	1.0997	1.0997
B2	1.5375		1.2155	2.1879	2.1879	2.1879
O3	2.7529	1.2155		3.3108	3.3108	3.3108
H4	1.0997	2.1879	3.3108		1.7778	1.7778
H5	1.0997	2.1879	3.3108	1.7778		1.7778
H6	1.0997	2.1879	3.3108	1.7778	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	111.036
B2	C1	H5	111.036	B2	C1	H6	111.036
H4	C1	H5	107.862	H4	C1	H6	107.862
H5	C1	H6	107.862

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

using model chemistry: BLYP/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	-0.802
2	B	0.313
3	O	-0.219
4	H	0.236
5	H	0.236
6	H	0.236

	x	y	z	Total
	0.000	0.000	-3.351	3.351
CHELPG
AIM
ESP

<r²>	50.671
(<r²>)^1/2	7.118

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

using model chemistry: BLYP/6-311G*

States and conformations

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