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	hartrees
Energy at 0K	-139.877295
Energy at 298.15K	-139.879823
HF Energy	-139.278386
Nuclear repulsion energy	54.222291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3067	3067
2	A₁	2002	2002
3	A₁	1344	1344
4	A₁	819	819
5	E	3133	3133
5	E	3133	3133
6	E	1478	1478
6	E	1478	1478
7	E	919	919
7	E	919	919
8	E	355	355
8	E	355	355

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.297
B2	0.000	0.000	0.241
O3	0.000	0.000	1.451
H4	0.000	1.021	-1.676
H5	0.884	-0.510	-1.676
H6	-0.884	-0.510	-1.676

	C1	B2	O3	H4	H5	H6
C1		1.5374	2.7477	1.0888	1.0888	1.0888
B2	1.5374		1.2103	2.1712	2.1712	2.1712
O3	2.7477	1.2103		3.2891	3.2891	3.2891
H4	1.0888	2.1712	3.2891		1.7679	1.7679
H5	1.0888	2.1712	3.2891	1.7679		1.7679
H6	1.0888	2.1712	3.2891	1.7679	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.370
B2	C1	H5	110.370	B2	C1	H6	110.370
H4	C1	H5	108.557	H4	C1	H6	108.557
H5	C1	H6	108.557

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

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/aug-cc-pVTZ

States and conformations

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