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	hartrees
Energy at 0K	-138.741898
Energy at 298.15K	-138.744489
HF Energy	-138.456520
Nuclear repulsion energy	53.298616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3087	2927	0.18
2	A₁	1955	1853	35.00
3	A₁	1459	1383	35.67
4	A₁	817	774	0.56
5	E	3161	2997	1.82
5	E	3161	2997	1.82
6	E	1565	1484	9.24
6	E	1565	1484	9.24
7	E	1000	948	24.57
7	E	1000	948	24.57
8	E	371	352	4.06
8	E	371	352	4.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.316
B2	0.000	0.000	0.231
O3	0.000	0.000	1.481
H4	0.000	1.025	-1.702
H5	0.888	-0.513	-1.702
H6	-0.888	-0.513	-1.702

	C1	B2	O3	H4	H5	H6
C1		1.5472	2.7965	1.0958	1.0957	1.0957
B2	1.5472		1.2493	2.1886	2.1886	2.1886
O3	2.7965	1.2493		3.3439	3.3439	3.3439
H4	1.0958	2.1886	3.3439		1.7761	1.7761
H5	1.0957	2.1886	3.3439	1.7761		1.7761
H6	1.0957	2.1886	3.3439	1.7761	1.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.640
B2	C1	H5	110.640	B2	C1	H6	110.640
H4	C1	H5	108.277	H4	C1	H6	108.277
H5	C1	H6	108.277

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

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

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