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	hartrees
Energy at 0K	-82.380513
Energy at 298.15K	-82.387386
HF Energy	-82.165218
Nuclear repulsion energy	39.888004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3361	3290
2	A₁	2455	2403
3	A₁	1405	1375
4	A₁	1207	1182
5	A₁	674	660
6	A₂	257	252
7	E	3475	3401
7	E	3475	3401
8	E	2528	2474
8	E	2528	2474
9	E	1762	1724
9	E	1761	1724
10	E	1211	1185
10	E	1211	1185
11	E	1099	1076
11	E	1099	1076
12	E	676	662
12	E	676	662

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.953
N2	0.000	0.000	0.751
H3	0.000	-1.182	-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		1.7033	1.2214	1.2214	1.2214	2.2663	2.2663	2.2663
N2	1.7033		2.3316	2.3316	2.3316	1.0286	1.0286	1.0286
H3	1.2214	2.3316		2.0480	2.0480	3.1897	2.5956	2.5956
H4	1.2214	2.3316	2.0480		2.0480	2.5956	2.5956	3.1897
H5	1.2214	2.3316	2.0480	2.0480		2.5956	3.1897	2.5956
H6	2.2663	1.0286	3.1897	2.5956	2.5956		1.6781	1.6781
H7	2.2663	1.0286	2.5956	2.5956	3.1897	1.6781		1.6781
H8	2.2663	1.0286	2.5956	3.1897	2.5956	1.6781	1.6781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	109.623	B1	N2	H7	109.623
B1	N2	H8	109.623	N2	B1	H3	104.523
N2	B1	H4	104.523	N2	B1	H5	104.523
H3	B1	H4	113.934	H3	B1	H5	113.934
H4	B1	H5	113.934	H6	N2	H7	109.319
H6	N2	H8	109.319	H7	N2	H8	109.319

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

using model chemistry: MP4=FULL/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=FULL/3-21G

States and conformations

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