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	hartrees
Energy at 0K	-82.786685
Energy at 298.15K	-82.793532
HF Energy	-82.580594
Nuclear repulsion energy	40.043490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3488	3488	3.99
2	A₁	2460	2460	62.68
3	A₁	1427	1427	201.16
4	A₁	1217	1217	129.76
5	A₁	637	637	24.94
6	A₂	255	255	0.00
7	E	3616	3616	27.00
7	E	3616	3616	27.00
8	E	2527	2527	242.93
8	E	2527	2527	242.93
9	E	1770	1770	42.25
9	E	1770	1770	42.25
10	E	1219	1219	9.55
10	E	1219	1219	9.55
11	E	1104	1104	51.04
11	E	1104	1104	51.04
12	E	674	674	1.37
12	E	674	674	1.37

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.951
N2	0.000	0.000	0.751
H3	0.000	-1.180	-1.256
H4	-1.022	0.590	-1.256
H5	1.022	0.590	-1.256
H6	0.000	0.962	1.089
H7	-0.833	-0.481	1.089
H8	0.833	-0.481	1.089

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.7016	1.2192	1.2192	1.2192	2.2550	2.2550	2.2550
N2	1.7016		2.3283	2.3283	2.3283	1.0197	1.0197	1.0197
H3	1.2192	2.3283		2.0445	2.0445	3.1762	2.5848	2.5848
H4	1.2192	2.3283	2.0445		2.0445	2.5848	2.5848	3.1762
H5	1.2192	2.3283	2.0445	2.0445		2.5848	3.1762	2.5848
H6	2.2550	1.0197	3.1762	2.5848	2.5848		1.6664	1.6664
H7	2.2550	1.0197	2.5848	2.5848	3.1762	1.6664		1.6664
H8	2.2550	1.0197	2.5848	3.1762	2.5848	1.6664	1.6664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	109.352	B1	N2	H7	109.352
B1	N2	H8	109.352	N2	B1	H3	104.502
N2	B1	H4	104.502	N2	B1	H5	104.502
H3	B1	H4	113.950	H3	B1	H5	113.950
H4	B1	H5	113.950	H6	N2	H7	109.590
H6	N2	H8	109.590	H7	N2	H8	109.591

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G

States and conformations

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