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	hartrees
Energy at 0K	-139.994703
Energy at 298.15K	-139.997249
HF Energy	-139.994703
Nuclear repulsion energy	54.466016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3083	2952	0.23
2	A₁	2062	1975	178.29
3	A₁	1328	1272	14.69
4	A₁	834	799	0.00
5	E	3173	3039	0.23
5	E	3173	3039	0.23
6	E	1455	1393	5.73
6	E	1455	1393	5.73
7	E	907	869	25.43
7	E	907	869	25.43
8	E	370	354	9.77
8	E	370	354	9.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.288
B2	0.000	0.000	0.240
O3	0.000	0.000	1.443
H4	0.000	1.021	-1.671
H5	0.884	-0.511	-1.671
H6	-0.884	-0.511	-1.671

	C1	B2	O3	H4	H5	H6
C1		1.5285	2.7307	1.0905	1.0905	1.0905
B2	1.5285		1.2023	2.1666	2.1666	2.1666
O3	2.7307	1.2023		3.2763	3.2763	3.2763
H4	1.0905	2.1666	3.2763		1.7689	1.7689
H5	1.0905	2.1666	3.2763	1.7689		1.7689
H6	1.0905	2.1666	3.2763	1.7689	1.7689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.522
B2	C1	H5	110.522	B2	C1	H6	110.522
H4	C1	H5	108.400	H4	C1	H6	108.400
H5	C1	H6	108.400

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

using model chemistry: B1B95/6-31G(2df,p)

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	-0.580
2	B	0.103
3	O	-0.047
4	H	0.174
5	H	0.174
6	H	0.174

	x	y	z	Total
	0.000	0.000	-3.433	3.433
CHELPG
AIM
ESP

<r²>	49.528
(<r²>)^1/2	7.038

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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