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	hartrees
Energy at 0K	-82.910819
Energy at 298.15K	-82.917657
HF Energy	-82.610783
Nuclear repulsion energy	40.350698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3447	3306
2	A₁	2482	2381
3	A₁	1402	1345
4	A₁	1208	1159
5	A₁	668	640
6	A₂	265	254
7	E	3570	3424
7	E	3570	3424
8	E	2551	2447
8	E	2550	2447
9	E	1727	1657
9	E	1726	1656
10	E	1210	1161
10	E	1210	1161
11	E	1085	1041
11	E	1085	1041
12	E	656	629
12	E	656	629

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.936
N2	0.000	0.000	0.730
H3	0.000	-1.176	-1.242
H4	-1.019	0.588	-1.242
H5	1.019	0.588	-1.242
H6	0.000	0.954	1.100
H7	-0.826	-0.477	1.100
H8	0.826	-0.477	1.100

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6665	1.2154	1.2154	1.2154	2.2483	2.2483	2.2483
N2	1.6665		2.2962	2.2962	2.2962	1.0229	1.0229	1.0229
H3	1.2154	2.2962		2.0375	2.0375	3.1655	2.5796	2.5796
H4	1.2154	2.2962	2.0375		2.0375	2.5796	2.5796	3.1655
H5	1.2154	2.2962	2.0375	2.0375		2.5796	3.1655	2.5796
H6	2.2483	1.0229	3.1655	2.5796	2.5796		1.6521	1.6521
H7	2.2483	1.0229	2.5796	2.5796	3.1655	1.6521		1.6521
H8	2.2483	1.0229	2.5796	3.1655	2.5796	1.6521	1.6521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.177	B1	N2	H7	111.177
B1	N2	H8	111.177	N2	B1	H3	104.558
N2	B1	H4	104.558	N2	B1	H5	104.558
H3	B1	H4	113.905	H3	B1	H5	113.905
H4	B1	H5	113.905	H6	N2	H7	107.713
H6	N2	H8	107.713	H7	N2	H8	107.713

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

using model chemistry: QCISD(T)/6-31G*

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)/6-31G*

States and conformations

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