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	hartrees
Energy at 0K	-83.152392
Energy at 298.15K
HF Energy	-82.658995
Nuclear repulsion energy	40.794481

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.922
N2	0.000	0.000	0.722
H3	0.000	-1.166	-1.233
H4	-1.010	0.583	-1.233
H5	1.010	0.583	-1.233
H6	0.000	0.945	1.084
H7	-0.819	-0.473	1.084
H8	0.819	-0.473	1.084

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6436	1.2067	1.2067	1.2067	2.2173	2.2173	2.2173
N2	1.6436		2.2763	2.2763	2.2763	1.0121	1.0121	1.0121
H3	1.2067	2.2763		2.0193	2.0193	3.1346	2.5534	2.5534
H4	1.2067	2.2763	2.0193		2.0193	2.5534	2.5534	3.1346
H5	1.2067	2.2763	2.0193	2.0193		2.5534	3.1346	2.5534
H6	2.2173	1.0121	3.1346	2.5534	2.5534		1.6370	1.6370
H7	2.2173	1.0121	2.5534	2.5534	3.1346	1.6370		1.6370
H8	2.2173	1.0121	2.5534	3.1346	2.5534	1.6370	1.6370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.965	B1	N2	H7	110.965
B1	N2	H8	110.965	N2	B1	H3	104.956
N2	B1	H4	104.956	N2	B1	H5	104.956
H3	B1	H4	113.584	H3	B1	H5	113.584
H4	B1	H5	113.584	H6	N2	H7	107.937
H6	N2	H8	107.937	H7	N2	H8	107.937

All results from a given calculation for BH₃NH₃ (borane ammonia)

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 BH3NH3 (borane ammonia)

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

States and conformations

All results from a given calculation for BH₃NH₃ (borane ammonia)