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	hartrees
Energy at 0K	-139.864815
Energy at 298.15K
HF Energy	-139.276850
Nuclear repulsion energy	54.115063

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.299
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		1.5366	2.7539	1.0874	1.0874	1.0874
B2	1.5366		1.2173	2.1697	2.1697	2.1697
O3	2.7539	1.2173		3.2943	3.2943	3.2943
H4	1.0874	2.1697	3.2943		1.7654	1.7654
H5	1.0874	2.1697	3.2943	1.7654		1.7654
H6	1.0874	2.1697	3.2943	1.7654	1.7654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.383
B2	C1	H5	110.383	B2	C1	H6	110.383
H4	C1	H5	108.544	H4	C1	H6	108.544
H5	C1	H6	108.544

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

using model chemistry: MP4=FULL/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: MP4=FULL/cc-pVTZ

States and conformations

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