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	hartrees
Energy at 0K	-139.801793
Energy at 298.15K	-139.804345
HF Energy	-139.278481
Nuclear repulsion energy	54.189454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3071	2935	0.01
2	A₁	2036	1946	192.04
3	A₁	1360	1300	9.55
4	A₁	821	785	0.07
5	E	3153	3014	0.97
5	E	3153	3014	0.97
6	E	1485	1419	4.78
6	E	1485	1419	4.78
7	E	933	892	22.38
7	E	933	892	22.38
8	E	362	346	14.83
8	E	362	346	14.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.299
B2	0.000	0.000	0.243
O3	0.000	0.000	1.452
H4	0.000	1.022	-1.678
H5	0.885	-0.511	-1.678
H6	-0.885	-0.511	-1.678

	C1	B2	O3	H4	H5	H6
C1		1.5415	2.7504	1.0897	1.0897	1.0897
B2	1.5415		1.2089	2.1752	2.1752	2.1752
O3	2.7504	1.2089		3.2918	3.2918	3.2918
H4	1.0897	2.1752	3.2918		1.7696	1.7696
H5	1.0897	2.1752	3.2918	1.7696		1.7696
H6	1.0897	2.1752	3.2918	1.7696	1.7696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.346
B2	C1	H5	110.346	B2	C1	H6	110.346
H4	C1	H5	108.583	H4	C1	H6	108.583
H5	C1	H6	108.583

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

using model chemistry: CCSD/aug-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: CCSD/aug-cc-pVTZ

States and conformations

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