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	hartrees
Energy at 0K	-139.766892
Energy at 298.15K	-139.769475
HF Energy	-139.275437
Nuclear repulsion energy	54.429372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3112	2905	0.01
2	A₁	2106	1967	223.35
3	A₁	1373	1282	12.69
4	A₁	835	780	0.19
5	E	3200	2988	0.99
5	E	3200	2988	0.99
6	E	1489	1390	7.01
6	E	1489	1390	7.01
7	E	942	880	22.16
7	E	942	880	22.16
8	E	374	349	15.19
8	E	374	349	15.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.294
B2	0.000	0.000	0.244
O3	0.000	0.000	1.444
H4	0.000	1.021	-1.669
H5	0.884	-0.510	-1.669
H6	-0.884	-0.510	-1.669

	C1	B2	O3	H4	H5	H6
C1		1.5373	2.7377	1.0878	1.0878	1.0878
B2	1.5373		1.2004	2.1683	2.1683	2.1683
O3	2.7377	1.2004		3.2764	3.2764	3.2764
H4	1.0878	2.1683	3.2764		1.7683	1.7683
H5	1.0878	2.1683	3.2764	1.7683		1.7683
H6	1.0878	2.1683	3.2764	1.7683	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.196
B2	C1	H5	110.196	B2	C1	H6	110.196
H4	C1	H5	108.737	H4	C1	H6	108.737
H5	C1	H6	108.737

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

using model chemistry: MP3=FULL/TZVP

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

using model chemistry: MP3=FULL/TZVP

States and conformations

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