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	hartrees
Energy at 0K	-83.028171
Energy at 298.15K	-83.035084
HF Energy	-82.649709
Nuclear repulsion energy	40.672490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3536	3302	6.21
2	A₁	2499	2333	69.77
3	A₁	1382	1290	120.34
4	A₁	1238	1156	145.20
5	A₁	683	637	16.41
6	A₂	287	268	0.00
7	E	3646	3404	32.83
7	E	3646	3404	32.83
8	E	2564	2394	252.34
8	E	2564	2394	252.33
9	E	1681	1569	25.72
9	E	1681	1569	25.72
10	E	1234	1153	7.49
10	E	1234	1153	7.49
11	E	1103	1030	40.65
11	E	1103	1030	40.65
12	E	662	618	1.12
12	E	662	618	1.12

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.929
N2	0.000	0.000	0.726
H3	0.000	-1.166	-1.236
H4	-1.010	0.583	-1.236
H5	1.010	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		1.6550	1.2059	1.2059	1.2059	2.2302	2.2302	2.2302
N2	1.6550		2.2820	2.2820	2.2820	1.0130	1.0130	1.0130
H3	1.2059	2.2820		2.0200	2.0200	3.1417	2.5620	2.5620
H4	1.2059	2.2820	2.0200		2.0200	2.5620	2.5620	3.1417
H5	1.2059	2.2820	2.0200	2.0200		2.5620	3.1417	2.5620
H6	2.2302	1.0130	3.1417	2.5620	2.5620		1.6368	1.6368
H7	2.2302	1.0130	2.5620	2.5620	3.1417	1.6368		1.6368
H8	2.2302	1.0130	2.5620	3.1417	2.5620	1.6368	1.6368

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.123	B1	N2	H7	111.123
B1	N2	H8	111.123	N2	B1	H3	104.722
N2	B1	H4	104.722	N2	B1	H5	104.722
H3	B1	H4	113.774	H3	B1	H5	113.774
H4	B1	H5	113.774	H6	N2	H7	107.770
H6	N2	H8	107.770	H7	N2	H8	107.770

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

using model chemistry: MP3=FULL/TZVP

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/TZVP

States and conformations

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