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	hartrees
Energy at 0K	-139.950915
Energy at 298.15K
HF Energy	-139.287933
Nuclear repulsion energy	54.365287

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.292
B2	0.000	0.000	0.240
O3	0.000	0.000	1.447
H4	0.000	1.019	-1.672
H5	0.883	-0.510	-1.672
H6	-0.883	-0.510	-1.672

	C1	B2	O3	H4	H5	H6
C1		1.5320	2.7390	1.0876	1.0876	1.0876
B2	1.5320		1.2070	2.1666	2.1666	2.1666
O3	2.7390	1.2070		3.2812	3.2812	3.2812
H4	1.0876	2.1666	3.2812		1.7652	1.7652
H5	1.0876	2.1666	3.2812	1.7652		1.7652
H6	1.0876	2.1666	3.2812	1.7652	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.443
B2	C1	H5	110.443	B2	C1	H6	110.443
H4	C1	H5	108.482	H4	C1	H6	108.482
H5	C1	H6	108.482

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVQZ

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(T)=FULL/aug-cc-pVQZ

States and conformations

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