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	hartrees
Energy at 0K	-82.951014
Energy at 298.15K	-82.957898
HF Energy	-82.631422
Nuclear repulsion energy	40.494134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3478	3349
2	A₁	2412	2323
3	A₁	1407	1354
4	A₁	1185	1141
5	A₁	680	655
6	A₂	282	272
7	E	3590	3456
7	E	3590	3456
8	E	2473	2381
8	E	2473	2381
9	E	1743	1678
9	E	1742	1677
10	E	1176	1132
10	E	1176	1132
11	E	1086	1046
11	E	1086	1046
12	E	668	643
12	E	667	643

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.928
N2	0.000	0.000	0.729
H3	0.000	-1.177	-1.244
H4	-1.019	0.588	-1.244
H5	1.019	0.588	-1.244
H6	0.000	0.951	1.090
H7	-0.824	-0.475	1.090
H8	0.824	-0.475	1.090

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6568	1.2182	1.2182	1.2182	2.2311	2.2311	2.2311
N2	1.6568		2.2970	2.2970	2.2970	1.0173	1.0173	1.0173
H3	1.2182	2.2970		2.0378	2.0378	3.1584	2.5727	2.5727
H4	1.2182	2.2970	2.0378		2.0378	2.5727	2.5727	3.1584
H5	1.2182	2.2970	2.0378	2.0378		2.5727	3.1584	2.5727
H6	2.2311	1.0173	3.1584	2.5727	2.5727		1.6471	1.6471
H7	2.2311	1.0173	2.5727	2.5727	3.1584	1.6471		1.6471
H8	2.2311	1.0173	2.5727	3.1584	2.5727	1.6471	1.6471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.815	B1	N2	H7	110.815
B1	N2	H8	110.815	N2	B1	H3	105.036
N2	B1	H4	105.036	N2	B1	H5	105.036
H3	B1	H4	113.519	H3	B1	H5	113.519
H4	B1	H5	113.519	H6	N2	H7	108.094
H6	N2	H8	108.094	H7	N2	H8	108.095

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

using model chemistry: QCISD(T)/6-311G*

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)/6-311G*

States and conformations

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