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	hartrees
Energy at 0K	-139.734322
Energy at 298.15K	-139.736885
HF Energy	-139.240093
Nuclear repulsion energy	54.200383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3101	2938	0.04
2	A₁	2038	1931	133.43
3	A₁	1365	1294	11.73
4	A₁	825	782	0.00
5	E	3188	3020	0.58
5	E	3188	3020	0.58
6	E	1491	1413	5.27
6	E	1491	1413	5.27
7	E	927	878	23.20
7	E	927	878	23.20
8	E	372	353	11.32
8	E	372	353	11.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.297
B2	0.000	0.000	0.243
O3	0.000	0.000	1.451
H4	0.000	1.023	-1.678
H5	0.886	-0.511	-1.678
H6	-0.886	-0.511	-1.678

	C1	B2	O3	H4	H5	H6
C1		1.5404	2.7482	1.0916	1.0916	1.0916
B2	1.5404		1.2078	2.1767	2.1767	2.1767
O3	2.7482	1.2078		3.2921	3.2921	3.2921
H4	1.0916	2.1767	3.2921		1.7718	1.7718
H5	1.0916	2.1767	3.2921	1.7718		1.7718
H6	1.0916	2.1767	3.2921	1.7718	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.424
B2	C1	H5	110.424	B2	C1	H6	110.424
H4	C1	H5	108.502	H4	C1	H6	108.502
H5	C1	H6	108.502

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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