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	hartrees
Energy at 0K	-139.670740
Energy at 298.15K	-139.673292
HF Energy	-139.235991
Nuclear repulsion energy	53.857824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3089	3089	0.32
2	A₁	2035	2035	148.09
3	A₁	1344	1344	8.39
4	A₁	820	820	0.04
5	E	3184	3184	1.27
5	E	3184	3184	1.27
6	E	1463	1463	4.93
6	E	1463	1463	4.93
7	E	923	923	20.32
7	E	923	923	20.31
8	E	368	368	9.41
8	E	368	368	9.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.306
B2	0.000	0.000	0.246
O3	0.000	0.000	1.458
H4	0.000	1.034	-1.687
H5	0.896	-0.517	-1.687
H6	-0.896	-0.517	-1.687

	C1	B2	O3	H4	H5	H6
C1		1.5520	2.7645	1.1024	1.1024	1.1024
B2	1.5520		1.2125	2.1923	2.1923	2.1923
O3	2.7645	1.2125		3.3111	3.3111	3.3111
H4	1.1024	2.1923	3.3111		1.7918	1.7918
H5	1.1024	2.1923	3.3111	1.7918		1.7918
H6	1.1024	2.1923	3.3111	1.7918	1.7918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.211
B2	C1	H5	110.211	B2	C1	H6	110.211
H4	C1	H5	108.721	H4	C1	H6	108.721
H5	C1	H6	108.721

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

using model chemistry: CCSD=FULL/cc-pVDZ

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: CCSD=FULL/cc-pVDZ

States and conformations

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