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	hartrees
Energy at 0K	-83.069436
Energy at 298.15K	-83.076267
HF Energy	-82.653362
Nuclear repulsion energy	40.572361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3462	3347
2	A₁	2438	2357
3	A₁	1337	1293
4	A₁	1197	1157
5	A₁	672	650
6	A₂	256	247
7	E	3577	3458
7	E	3576	3458
8	E	2497	2414
8	E	2497	2414
9	E	1676	1621
9	E	1675	1620
10	E	1201	1161
10	E	1201	1161
11	E	1071	1035
11	E	1071	1035
12	E	643	622
12	E	643	622

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.930
N2	0.000	0.000	0.727
H3	0.000	-1.171	-1.238
H4	-1.015	0.586	-1.238
H5	1.015	0.586	-1.238
H6	0.000	0.949	1.091
H7	-0.821	-0.474	1.091
H8	0.821	-0.474	1.091

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6571	1.2114	1.2114	1.2114	2.2322	2.2322	2.2322
N2	1.6571		2.2882	2.2882	2.2882	1.0158	1.0158	1.0158
H3	1.2114	2.2882		2.0291	2.0291	3.1495	2.5662	2.5662
H4	1.2114	2.2882	2.0291		2.0291	2.5662	2.5662	3.1495
H5	1.2114	2.2882	2.0291	2.0291		2.5662	3.1495	2.5662
H6	2.2322	1.0158	3.1495	2.5662	2.5662		1.6429	1.6429
H7	2.2322	1.0158	2.5662	2.5662	3.1495	1.6429		1.6429
H8	2.2322	1.0158	2.5662	3.1495	2.5662	1.6429	1.6429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.969	B1	N2	H7	110.969
B1	N2	H8	110.969	N2	B1	H3	104.751
N2	B1	H4	104.751	N2	B1	H5	104.751
H3	B1	H4	113.750	H3	B1	H5	113.750
H4	B1	H5	113.750	H6	N2	H7	107.932
H6	N2	H8	107.932	H7	N2	H8	107.932

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

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

States and conformations

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