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	hartrees
Energy at 0K	-139.728560
Energy at 298.15K	-139.731125
HF Energy	-139.257402
Nuclear repulsion energy	54.144878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3105	2941	0.01
2	A₁	2011	1905	105.80
3	A₁	1382	1309	24.69
4	A₁	827	783	0.00
5	E	3200	3030	0.51
5	E	3200	3030	0.51
6	E	1508	1428	9.98
6	E	1508	1428	9.98
7	E	946	896	25.84
7	E	946	896	25.84
8	E	369	349	7.77
8	E	369	349	7.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.297
B2	0.000	0.000	0.240
O3	0.000	0.000	1.453
H4	0.000	1.021	-1.680
H5	0.885	-0.511	-1.680
H6	-0.885	-0.511	-1.680

	C1	B2	O3	H4	H5	H6
C1		1.5372	2.7505	1.0906	1.0906	1.0906
B2	1.5372		1.2133	2.1743	2.1743	2.1743
O3	2.7505	1.2133		3.2950	3.2950	3.2950
H4	1.0906	2.1743	3.2950		1.7693	1.7693
H5	1.0906	2.1743	3.2950	1.7693		1.7693
H6	1.0906	2.1743	3.2950	1.7693	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.513
B2	C1	H5	110.513	B2	C1	H6	110.513
H4	C1	H5	108.410	H4	C1	H6	108.410
H5	C1	H6	108.410

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3BO (Borane, methyloxo-)

using model chemistry: MP2=FULL/6-311G*

States and conformations

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