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	hartrees
Energy at 0K	-139.914900
Energy at 298.15K
HF Energy	-139.775588
Nuclear repulsion energy	54.132408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3103	3103	0.01
2	A₁	2023	2023	131.52
3	A₁	1378	1378	16.00
4	A₁	823	823	0.01
5	E	3190	3190	1.35
5	E	3190	3190	1.35
6	E	1499	1499	6.00
6	E	1499	1499	6.00
7	E	936	936	24.42
7	E	936	936	24.42
8	E	357	357	9.55
8	E	357	357	9.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.298
B2	0.000	0.000	0.239
O3	0.000	0.000	1.454
H4	0.000	1.021	-1.679
H5	0.884	-0.511	-1.679
H6	-0.884	-0.511	-1.679

	C1	B2	O3	H4	H5	H6
C1		1.5371	2.7515	1.0901	1.0901	1.0901
B2	1.5371		1.2144	2.1734	2.1734	2.1734
O3	2.7515	1.2144		3.2952	3.2952	3.2952
H4	1.0901	2.1734	3.2952		1.7687	1.7687
H5	1.0901	2.1734	3.2952	1.7687		1.7687
H6	1.0901	2.1734	3.2952	1.7687	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.487
B2	C1	H5	110.487	B2	C1	H6	110.487
H4	C1	H5	108.437	H4	C1	H6	108.437
H5	C1	H6	108.437

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

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

States and conformations

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