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	hartrees
Energy at 0K	-65.861413
Energy at 298.15K
HF Energy	-65.470846
Nuclear repulsion energy	31.954237

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	-0.682	0.000
B2	-0.018	0.870	0.000
H3	1.047	-0.949	0.000
H4	-0.441	-1.137	0.890
H5	-0.441	-1.137	-0.890
H6	0.013	1.481	-1.021
H7	0.013	1.481	1.021

	C1	B2	H3	H4	H5	H6	H7
C1		1.5516	1.0979	1.0856	1.0856	2.3917	2.3917
B2	1.5516		2.1076	2.2355	2.2355	1.1905	1.1905
H3	1.0979	2.1076		1.7440	1.7440	2.8311	2.8311
H4	1.0856	2.2355	1.7440		1.7805	3.2728	2.6598
H5	1.0856	2.2355	1.7440	1.7805		2.6598	3.2728
H6	2.3917	1.1905	2.8311	3.2728	2.6598		2.0427
H7	2.3917	1.1905	2.8311	2.6598	3.2728	2.0427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.873	C1	B2	H7	120.873
B2	C1	H3	104.086	B2	C1	H4	114.780
B2	C1	H5	114.780	H3	C1	H4	106.016
H3	C1	H5	106.016	H4	C1	H5	110.184
H6	B2	H7	118.166

All results from a given calculation for CH₃BH₂ (methylborane)

using model chemistry: CCSD=FULL/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=FULL/cc-pVQZ

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)