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	hartrees
Energy at 0K	-139.796186
Energy at 298.15K	-139.798725
HF Energy	-139.277477
Nuclear repulsion energy	54.166183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3073	2936	0.01
2	A₁	2023	1933	155.73
3	A₁	1355	1294	10.72
4	A₁	820	783	0.00
5	E	3155	3015	1.22
5	E	3155	3015	1.22
6	E	1481	1415	4.61
6	E	1481	1415	4.61
7	E	925	884	21.57
7	E	925	884	21.57
8	E	358	342	12.88
8	E	358	342	12.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.299
B2	0.000	0.000	0.242
O3	0.000	0.000	1.453
H4	0.000	1.021	-1.678
H5	0.884	-0.511	-1.678
H6	-0.884	-0.511	-1.678

	C1	B2	O3	H4	H5	H6
C1		1.5416	2.7519	1.0892	1.0892	1.0892
B2	1.5416		1.2103	2.1752	2.1752	2.1752
O3	2.7519	1.2103		3.2932	3.2932	3.2932
H4	1.0892	2.1752	3.2932		1.7686	1.7686
H5	1.0892	2.1752	3.2932	1.7686		1.7686
H6	1.0892	2.1752	3.2932	1.7686	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.366
B2	C1	H5	110.366	B2	C1	H6	110.366
H4	C1	H5	108.562	H4	C1	H6	108.562
H5	C1	H6	108.562

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

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

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