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	hartrees
Energy at 0K	-83.063686
Energy at 298.15K	-83.070544
HF Energy	-82.652806
Nuclear repulsion energy	40.609336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3472	3293
2	A₁	2445	2320
3	A₁	1341	1272
4	A₁	1206	1144
5	A₁	678	643
6	A₂	268	254
7	E	3587	3403
7	E	3587	3403
8	E	2504	2375
8	E	2504	2375
9	E	1677	1591
9	E	1676	1590
10	E	1210	1148
10	E	1210	1148
11	E	1076	1020
11	E	1076	1020
12	E	648	614
12	E	648	614

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.928
N2	0.000	0.000	0.727
H3	0.000	-1.170	-1.239
H4	-1.013	0.585	-1.239
H5	1.013	0.585	-1.239
H6	0.000	0.947	1.091
H7	-0.820	-0.474	1.091
H8	0.820	-0.474	1.091

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6549	1.2105	1.2105	1.2105	2.2303	2.2303	2.2303
N2	1.6549		2.2872	2.2872	2.2872	1.0150	1.0150	1.0150
H3	1.2105	2.2872		2.0265	2.0265	3.1480	2.5661	2.5661
H4	1.2105	2.2872	2.0265		2.0265	2.5661	2.5661	3.1480
H5	1.2105	2.2872	2.0265	2.0265		2.5661	3.1480	2.5661
H6	2.2303	1.0150	3.1480	2.5661	2.5661		1.6409	1.6409
H7	2.2303	1.0150	2.5661	2.5661	3.1480	1.6409		1.6409
H8	2.2303	1.0150	2.5661	3.1480	2.5661	1.6409	1.6409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.031	B1	N2	H7	111.031
B1	N2	H8	111.031	N2	B1	H3	104.859
N2	B1	H4	104.859	N2	B1	H5	104.859
H3	B1	H4	113.663	H3	B1	H5	113.663
H4	B1	H5	113.663	H6	N2	H7	107.867
H6	N2	H8	107.867	H7	N2	H8	107.867

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

using model chemistry: QCISD(T)/cc-pVTZ

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: QCISD(T)/cc-pVTZ

States and conformations

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