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	hartrees
Energy at 0K	-65.741448
Energy at 298.15K
HF Energy	-65.447564
Nuclear repulsion energy	31.467497

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.691	0.000
B2	-0.018	0.883	0.000
H3	1.065	-0.962	0.000
H4	-0.447	-1.155	0.905
H5	-0.447	-1.155	-0.905
H6	0.014	1.502	-1.039
H7	0.014	1.502	1.039

	C1	B2	H3	H4	H5	H6	H7
C1		1.5739	1.1162	1.1034	1.1034	2.4272	2.4272
B2	1.5739		2.1390	2.2701	2.2701	1.2098	1.2098
H3	1.1162	2.1390		1.7723	1.7723	2.8732	2.8732
H4	1.1034	2.2701	1.7723		1.8100	3.3241	2.7000
H5	1.1034	2.2701	1.7723	1.8100		2.7000	3.3241
H6	2.4272	1.2098	2.8732	3.3241	2.7000		2.0770
H7	2.4272	1.2098	2.8732	2.7000	3.3241	2.0770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.815	C1	B2	H7	120.815
B2	C1	H3	104.039	B2	C1	H4	114.831
B2	C1	H5	114.831	H3	C1	H4	105.965
H3	C1	H5	105.965	H4	C1	H5	110.205
H6	B2	H7	118.277

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: QCISD(TQ)=FULL/aug-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 CH3BH2 (methylborane)

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

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)