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	hartrees
Energy at 0K	-65.817133
Energy at 298.15K
HF Energy	-65.470885
Nuclear repulsion energy	31.822520

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.685	0.000
B2	-0.018	0.874	0.000
H3	1.053	-0.948	0.000
H4	-0.440	-1.143	0.895
H5	-0.440	-1.143	-0.895
H6	0.015	1.486	-1.026
H7	0.015	1.486	1.026

	C1	B2	H3	H4	H5	H6	H7
C1		1.5583	1.1032	1.0900	1.0900	2.4007	2.4007
B2	1.5583		2.1131	2.2459	2.2459	1.1950	1.1950
H3	1.1032	2.1131		1.7515	1.7515	2.8375	2.8375
H4	1.0900	2.2459	1.7515		1.7892	3.2868	2.6705
H5	1.0900	2.2459	1.7515	1.7892		2.6705	3.2868
H6	2.4007	1.1950	2.8375	3.2868	2.6705		2.0518
H7	2.4007	1.1950	2.8375	2.6705	3.2868	2.0518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.800	C1	B2	H7	120.800
B2	C1	H3	103.796	B2	C1	H4	114.848
B2	C1	H5	114.848	H3	C1	H4	105.999
H3	C1	H5	105.999	H4	C1	H5	110.324
H6	B2	H7	118.301

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCSD(T)/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 CH3BH2 (methylborane)

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

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)