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	hartrees
Energy at 0K	-139.997298
Energy at 298.15K	-139.999836
HF Energy	-139.997298
Nuclear repulsion energy	54.268077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	3075	0.23
2	A₁	2080	2080	214.98
3	A₁	1309	1309	14.09
4	A₁	833	833	0.13
5	E	3170	3170	0.05
5	E	3170	3170	0.04
6	E	1431	1431	6.86
6	E	1431	1431	6.73
7	E	905	905	27.35
7	E	905	905	27.60
8	E	365	365	9.04
8	E	365	365	9.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.294
B2	0.000	0.000	0.242
O3	0.000	0.000	1.446
H4	0.000	1.031	-1.672
H5	0.893	-0.516	-1.672
H6	-0.893	-0.516	-1.672

	C1	B2	O3	H4	H5	H6
C1		1.5366	2.7402	1.0982	1.0982	1.0982
B2	1.5366		1.2036	2.1744	2.1744	2.1744
O3	2.7402	1.2036		3.2840	3.2840	3.2840
H4	1.0982	2.1744	3.2840		1.7860	1.7860
H5	1.0982	2.1744	3.2840	1.7860		1.7860
H6	1.0982	2.1744	3.2840	1.7860	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.122
B2	C1	H5	110.122	B2	C1	H6	110.122
H4	C1	H5	108.813	H4	C1	H6	108.813
H5	C1	H6	108.813

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

using model chemistry: M06-2X/cc-pVDZ

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	-0.216
2	B	0.020
3	O	-0.079
4	H	0.092
5	H	0.092
6	H	0.092

	x	y	z	Total
	0.000	0.000	-3.456	3.456
CHELPG
AIM
ESP

	x	y	z
x	2.897	0.000	0.000
y	0.000	2.896	0.001
z	0.000	0.001	4.441

<r²>	49.951
(<r²>)^1/2	7.068

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

using model chemistry: M06-2X/cc-pVDZ

States and conformations

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