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	hartrees
Energy at 0K	-139.780120
Energy at 298.15K	-139.782647
HF Energy	-139.276831
Nuclear repulsion energy	54.102103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3098	2942	0.12
2	A₁	1990	1890	121.81
3	A₁	1339	1272	13.06
4	A₁	824	782	0.08
5	E	3193	3032	0.08
5	E	3193	3032	0.08
6	E	1476	1402	5.22
6	E	1476	1402	5.22
7	E	916	870	21.14
7	E	916	870	21.14
8	E	355	337	10.13
8	E	355	337	10.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.300
B2	0.000	0.000	0.238
O3	0.000	0.000	1.455
H4	0.000	1.019	-1.678
H5	0.883	-0.510	-1.678
H6	-0.883	-0.510	-1.678

	C1	B2	O3	H4	H5	H6
C1		1.5375	2.7550	1.0873	1.0873	1.0873
B2	1.5375		1.2175	2.1703	2.1703	2.1703
O3	2.7550	1.2175		3.2951	3.2951	3.2951
H4	1.0873	2.1703	3.2951		1.7655	1.7655
H5	1.0873	2.1703	3.2951	1.7655		1.7655
H6	1.0873	2.1703	3.2951	1.7655	1.7655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.374
B2	C1	H5	110.374	B2	C1	H6	110.374
H4	C1	H5	108.554	H4	C1	H6	108.554
H5	C1	H6	108.554

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

using model chemistry: MP2/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: MP2/cc-pVTZ

States and conformations

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