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	hartrees
Energy at 0K	-82.377539
Energy at 298.15K	-82.384410
HF Energy	-82.165206
Nuclear repulsion energy	39.877470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3361	3260
2	A₁	2454	2380
3	A₁	1405	1362
4	A₁	1207	1171
5	A₁	673	653
6	A₂	257	249
7	E	3474	3369
7	E	3474	3369
8	E	2527	2451
8	E	2527	2451
9	E	1762	1709
9	E	1761	1708
10	E	1211	1174
10	E	1211	1174
11	E	1099	1066
11	E	1099	1066
12	E	675	655
12	E	675	655

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.953
N2	0.000	0.000	0.751
H3	0.000	-1.183	-1.259
H4	-1.024	0.591	-1.259
H5	1.024	0.591	-1.259
H6	0.000	0.969	1.096
H7	-0.839	-0.484	1.096
H8	0.839	-0.484	1.096

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.7042	1.2216	1.2216	1.2216	2.2671	2.2671	2.2671
N2	1.7042		2.3323	2.3323	2.3323	1.0286	1.0286	1.0286
H3	1.2216	2.3323		2.0484	2.0484	3.1904	2.5963	2.5963
H4	1.2216	2.3323	2.0484		2.0484	2.5963	2.5963	3.1904
H5	1.2216	2.3323	2.0484	2.0484		2.5963	3.1904	2.5963
H6	2.2671	1.0286	3.1904	2.5963	2.5963		1.6782	1.6782
H7	2.2671	1.0286	2.5963	2.5963	3.1904	1.6782		1.6782
H8	2.2671	1.0286	2.5963	3.1904	2.5963	1.6782	1.6782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	109.624	B1	N2	H7	109.624
B1	N2	H8	109.624	N2	B1	H3	104.508
N2	B1	H4	104.508	N2	B1	H5	104.508
H3	B1	H4	113.945	H3	B1	H5	113.945
H4	B1	H5	113.945	H6	N2	H7	109.318
H6	N2	H8	109.318	H7	N2	H8	109.318

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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