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	hartrees
Energy at 0K	-139.904109
Energy at 298.15K	-139.906637
HF Energy	-139.770506
Nuclear repulsion energy	54.082882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3100	2940	0.00
2	A₁	2022	1918	130.32
3	A₁	1394	1322	18.35
4	A₁	822	780	0.03
5	E	3181	3016	1.37
5	E	3181	3016	1.37
6	E	1513	1435	7.03
6	E	1513	1435	7.03
7	E	943	895	25.73
7	E	943	895	25.73
8	E	357	339	9.51
8	E	357	339	9.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.299
B2	0.000	0.000	0.240
O3	0.000	0.000	1.455
H4	0.000	1.023	-1.682
H5	0.886	-0.511	-1.682
H6	-0.886	-0.511	-1.682

	C1	B2	O3	H4	H5	H6
C1		1.5388	2.7532	1.0923	1.0923	1.0923
B2	1.5388		1.2144	2.1776	2.1776	2.1776
O3	2.7532	1.2144		3.2994	3.2994	3.2994
H4	1.0923	2.1776	3.2994		1.7714	1.7714
H5	1.0923	2.1776	3.2994	1.7714		1.7714
H6	1.0923	2.1776	3.2994	1.7714	1.7714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.564
B2	C1	H5	110.564	B2	C1	H6	110.564
H4	C1	H5	108.357	H4	C1	H6	108.357
H5	C1	H6	108.357

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

using model chemistry: B2PLYP=FULL/6-31G*

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: B2PLYP=FULL/6-31G*

States and conformations

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