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	hartrees
Energy at 0K	-139.677821
Energy at 298.15K
HF Energy	-139.235480
Nuclear repulsion energy	53.717438

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.310
B2	0.000	0.000	0.246
O3	0.000	0.000	1.462
H4	0.000	1.037	-1.690
H5	0.898	-0.519	-1.690
H6	-0.898	-0.519	-1.690

	C1	B2	O3	H4	H5	H6
C1		1.5554	2.7720	1.1046	1.1046	1.1046
B2	1.5554		1.2166	2.1961	2.1961	2.1961
O3	2.7720	1.2166		3.3186	3.3186	3.3186
H4	1.1046	2.1961	3.3186		1.7962	1.7962
H5	1.1046	2.1961	3.3186	1.7962		1.7962
H6	1.1046	2.1961	3.3186	1.7962	1.7962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.144
B2	C1	H5	110.144	B2	C1	H6	110.144
H4	C1	H5	108.790	H4	C1	H6	108.790
H5	C1	H6	108.790

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

using model chemistry: QCISD(TQ)/cc-pVDZ

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(TQ)/cc-pVDZ

States and conformations

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