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	hartrees
Energy at 0K	-65.827871
Energy at 298.15K
HF Energy	-65.466427
Nuclear repulsion energy	31.928195

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	-0.683	0.000
B2	-0.020	0.871	0.000
H3	1.054	-0.929	0.000
H4	-0.434	-1.143	0.893
H5	-0.434	-1.143	-0.893
H6	0.017	1.479	-1.021
H7	0.017	1.479	1.021

	C1	B2	H3	H4	H5	H6	H7
C1		1.5539	1.1012	1.0868	1.0868	2.3913	2.3913
B2	1.5539		2.0955	2.2419	2.2419	1.1891	1.1891
H3	1.1012	2.0955		1.7486	1.7486	2.8133	2.8133
H4	1.0868	2.2419	1.7486		1.7861	3.2778	2.6638
H5	1.0868	2.2419	1.7486	1.7861		2.6638	3.2778
H6	2.3913	1.1891	2.8133	3.2778	2.6638		2.0424
H7	2.3913	1.1891	2.8133	2.6638	3.2778	2.0424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.752	C1	B2	H7	120.752
B2	C1	H3	102.897	B2	C1	H4	115.050
B2	C1	H5	115.050	H3	C1	H4	106.102
H3	C1	H5	106.102	H4	C1	H5	110.512
H6	B2	H7	118.370

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: QCISD(TQ)=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 CH3BH2 (methylborane)

using model chemistry: QCISD(TQ)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)