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	hartrees
Energy at 0K	-65.875753
Energy at 298.15K
HF Energy	-65.470873
Nuclear repulsion energy	31.929416

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	-0.682	0.000
B2	-0.019	0.870	0.000
H3	1.052	-0.939	0.000
H4	-0.437	-1.140	0.893
H5	-0.437	-1.140	-0.893
H6	0.015	1.480	-1.023
H7	0.015	1.480	1.023

	C1	B2	H3	H4	H5	H6	H7
C1		1.5515	1.1009	1.0876	1.0876	2.3917	2.3917
B2	1.5515		2.1019	2.2388	2.2388	1.1916	1.1916
H3	1.1009	2.1019		1.7478	1.7478	2.8235	2.8235
H4	1.0876	2.2388	1.7478		1.7862	3.2773	2.6620
H5	1.0876	2.2388	1.7478	1.7862		2.6620	3.2773
H6	2.3917	1.1916	2.8235	3.2773	2.6620		2.0459
H7	2.3917	1.1916	2.8235	2.6620	3.2773	2.0459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	H6	120.801	C1	B2	H7	120.801
B2	C1	H3	103.527	B2	C1	H4	114.929
B2	C1	H5	114.929	H3	C1	H4	105.996
H3	C1	H5	105.996	H4	C1	H5	110.395
H6	B2	H7	118.291

All results from a given calculation for CH₃BH₂ (methylborane)

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

States and conformations

All results from a given calculation for CH₃BH₂ (methylborane)