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	hartrees
Energy at 0K	-82.971034
Energy at 298.15K	-82.977886
HF Energy	-82.623486
Nuclear repulsion energy	40.306051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3469	3341
2	A₁	2456	2366
3	A₁	1333	1284
4	A₁	1196	1152
5	A₁	669	645
6	A₂	278	267
7	E	3595	3463
7	E	3595	3463
8	E	2521	2428
8	E	2521	2428
9	E	1661	1600
9	E	1660	1599
10	E	1197	1153
10	E	1197	1153
11	E	1067	1028
11	E	1067	1028
12	E	644	620
12	E	644	620

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.933
N2	0.000	0.000	0.727
H3	0.000	-1.186	-1.244
H4	-1.027	0.593	-1.244
H5	1.027	0.593	-1.244
H6	0.000	0.953	1.103
H7	-0.825	-0.476	1.103
H8	0.825	-0.476	1.103

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6596	1.2263	1.2263	1.2263	2.2475	2.2475	2.2475
N2	1.6596		2.3002	2.3002	2.3002	1.0243	1.0243	1.0243
H3	1.2263	2.3002		2.0545	2.0545	3.1752	2.5868	2.5868
H4	1.2263	2.3002	2.0545		2.0545	2.5868	2.5868	3.1752
H5	1.2263	2.3002	2.0545	2.0545		2.5868	3.1752	2.5868
H6	2.2475	1.0243	3.1752	2.5868	2.5868		1.6503	1.6503
H7	2.2475	1.0243	2.5868	2.5868	3.1752	1.6503		1.6503
H8	2.2475	1.0243	2.5868	3.1752	2.5868	1.6503	1.6503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.532	B1	N2	H7	111.532
B1	N2	H8	111.532	N2	B1	H3	104.695
N2	B1	H4	104.695	N2	B1	H5	104.695
H3	B1	H4	113.795	H3	B1	H5	113.795
H4	B1	H5	113.795	H6	N2	H7	107.334
H6	N2	H8	107.334	H7	N2	H8	107.335

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

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

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/cc-pVDZ

States and conformations

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