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	hartrees
Energy at 0K	-82.792643
Energy at 298.15K	-82.799475
HF Energy	-82.580264
Nuclear repulsion energy	39.956794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3452	3312	3.27
2	A₁	2436	2338	59.83
3	A₁	1422	1364	194.29
4	A₁	1204	1155	125.92
5	A₁	633	607	24.17
6	A₂	252	242	0.00
7	E	3583	3438	23.82
7	E	3583	3438	23.82
8	E	2504	2403	230.16
8	E	2504	2403	230.16
9	E	1761	1690	40.65
9	E	1761	1690	40.65
10	E	1206	1157	8.91
10	E	1206	1157	8.91
11	E	1097	1052	49.80
11	E	1097	1052	49.80
12	E	671	644	1.44
12	E	671	644	1.44

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.953
N2	0.000	0.000	0.752
H3	0.000	-1.183	-1.259
H4	-1.025	0.592	-1.259
H5	1.025	0.592	-1.259
H6	0.000	0.964	1.092
H7	-0.835	-0.482	1.092
H8	0.835	-0.482	1.092

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.7046	1.2220	1.2220	1.2220	2.2608	2.2608	2.2608
N2	1.7046		2.3328	2.3328	2.3328	1.0222	1.0222	1.0222
H3	1.2220	2.3328		2.0492	2.0492	3.1837	2.5914	2.5914
H4	1.2220	2.3328	2.0492		2.0492	2.5914	2.5914	3.1837
H5	1.2220	2.3328	2.0492	2.0492		2.5914	3.1837	2.5914
H6	2.2608	1.0222	3.1837	2.5914	2.5914		1.6693	1.6693
H7	2.2608	1.0222	2.5914	2.5914	3.1837	1.6693		1.6693
H8	2.2608	1.0222	2.5914	3.1837	2.5914	1.6693	1.6693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	109.454	B1	N2	H7	109.454
B1	N2	H8	109.454	N2	B1	H3	104.496
N2	B1	H4	104.496	N2	B1	H5	104.496
H3	B1	H4	113.955	H3	B1	H5	113.955
H4	B1	H5	113.955	H6	N2	H7	109.488
H6	N2	H8	109.488	H7	N2	H8	109.488

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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