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	hartrees
Energy at 0K	-82.965326
Energy at 298.15K	-82.972228
HF Energy	-82.627310
Nuclear repulsion energy	40.663436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3570	3326	6.29
2	A₁	2532	2359	71.75
3	A₁	1397	1302	139.70
4	A₁	1239	1154	138.88
5	A₁	674	628	18.82
6	A₂	289	269	0.00
7	E	3694	3442	37.06
7	E	3694	3442	37.06
8	E	2598	2421	273.58
8	E	2598	2421	273.58
9	E	1718	1601	30.97
9	E	1718	1601	30.97
10	E	1240	1155	6.70
10	E	1240	1155	6.70
11	E	1100	1025	43.09
11	E	1100	1025	43.09
12	E	661	616	0.93
12	E	661	616	0.93

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.931
N2	0.000	0.000	0.727
H3	0.000	-1.165	-1.236
H4	-1.009	0.583	-1.236
H5	1.009	0.583	-1.236
H6	0.000	0.945	1.091
H7	-0.818	-0.472	1.091
H8	0.818	-0.472	1.091

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6577	1.2043	1.2043	1.2043	2.2322	2.2322	2.2322
N2	1.6577		2.2822	2.2822	2.2822	1.0128	1.0128	1.0128
H3	1.2043	2.2822		2.0180	2.0180	3.1412	2.5622	2.5622
H4	1.2043	2.2822	2.0180		2.0180	2.5622	2.5622	3.1412
H5	1.2043	2.2822	2.0180	2.0180		2.5622	3.1412	2.5622
H6	2.2322	1.0128	3.1412	2.5622	2.5622		1.6365	1.6365
H7	2.2322	1.0128	2.5622	2.5622	3.1412	1.6365		1.6365
H8	2.2322	1.0128	2.5622	3.1412	2.5622	1.6365	1.6365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.108	B1	N2	H7	111.108
B1	N2	H8	111.108	N2	B1	H3	104.656
N2	B1	H4	104.656	N2	B1	H5	104.656
H3	B1	H4	113.827	H3	B1	H5	113.827
H4	B1	H5	113.827	H6	N2	H7	107.786
H6	N2	H8	107.786	H7	N2	H8	107.786

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

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

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/6-31+G**

States and conformations

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