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	hartrees
Energy at 0K	-139.756384
Energy at 298.15K	-139.758988
HF Energy	-139.240644
Nuclear repulsion energy	54.484870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3112	2931	0.15
2	A₁	2075	1954	155.21
3	A₁	1369	1289	12.72
4	A₁	835	786	0.01
5	E	3199	3012	0.37
5	E	3199	3012	0.37
6	E	1503	1415	5.37
6	E	1503	1415	5.37
7	E	933	879	24.66
7	E	933	879	24.66
8	E	389	366	11.46
8	E	389	366	11.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.289
B2	0.000	0.000	0.242
O3	0.000	0.000	1.442
H4	0.000	1.021	-1.671
H5	0.884	-0.510	-1.671
H6	-0.884	-0.510	-1.671

	C1	B2	O3	H4	H5	H6
C1		1.5318	2.7316	1.0894	1.0894	1.0894
B2	1.5318		1.1998	2.1682	2.1682	2.1682
O3	2.7316	1.1998		3.2758	3.2758	3.2758
H4	1.0894	2.1682	3.2758		1.7676	1.7676
H5	1.0894	2.1682	3.2758	1.7676		1.7676
H6	1.0894	2.1682	3.2758	1.7676	1.7676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.485
B2	C1	H5	110.485	B2	C1	H6	110.485
H4	C1	H5	108.438	H4	C1	H6	108.438
H5	C1	H6	108.438

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G(2df,p)

States and conformations

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