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	hartrees
Energy at 0K	-82.947455
Energy at 298.15K	-82.954375
HF Energy	-82.631656
Nuclear repulsion energy	40.669352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3523	3337	7.42	79.30	0.00	0.01
2	A₁	2470	2339	68.50	151.95	0.04	0.08
3	A₁	1403	1329	147.24	2.42	0.42	0.59
4	A₁	1209	1145	109.13	2.41	0.63	0.77
5	A₁	693	657	11.42	4.17	0.35	0.52
6	A₂	290	275	0.00	0.00	0.00	0.00
7	E	3651	3457	37.07	37.89	0.75	0.86
7	E	3651	3457	37.07	37.89	0.75	0.86
8	E	2538	2404	249.63	64.78	0.75	0.86
8	E	2538	2404	249.63	64.78	0.75	0.86
9	E	1750	1658	36.07	5.99	0.75	0.86
9	E	1750	1658	36.07	5.99	0.75	0.86
10	E	1204	1141	2.30	18.30	0.75	0.86
10	E	1204	1141	2.30	18.30	0.75	0.86
11	E	1102	1044	43.88	10.26	0.75	0.86
11	E	1102	1044	43.88	10.26	0.75	0.86
12	E	676	640	1.05	1.47	0.75	0.86
12	E	676	640	1.05	1.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.923
N2	0.000	0.000	0.726
H3	0.000	-1.170	-1.239
H4	-1.013	0.585	-1.239
H5	1.013	0.585	-1.239
H6	0.000	0.949	1.084
H7	-0.822	-0.474	1.084
H8	0.822	-0.474	1.084

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6494	1.2115	1.2115	1.2115	2.2203	2.2203	2.2203
N2	1.6494		2.2868	2.2868	2.2868	1.0140	1.0140	1.0140
H3	1.2115	2.2868		2.0259	2.0259	3.1439	2.5603	2.5603
H4	1.2115	2.2868	2.0259		2.0259	2.5603	2.5603	3.1439
H5	1.2115	2.2868	2.0259	2.0259		2.5603	3.1439	2.5603
H6	2.2203	1.0140	3.1439	2.5603	2.5603		1.6433	1.6433
H7	2.2203	1.0140	2.5603	2.5603	3.1439	1.6433		1.6433
H8	2.2203	1.0140	2.5603	3.1439	2.5603	1.6433	1.6433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.673	B1	N2	H7	110.673
B1	N2	H8	110.673	N2	B1	H3	105.103
N2	B1	H4	105.103	N2	B1	H5	105.103
H3	B1	H4	113.463	H3	B1	H5	113.463
H4	B1	H5	113.463	H6	N2	H7	108.243
H6	N2	H8	108.243	H7	N2	H8	108.243

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

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