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	hartrees
Energy at 0K	-82.974990
Energy at 298.15K	-82.981797
HF Energy	-82.628621
Nuclear repulsion energy	40.245121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3477	3353	2.93
2	A₁	2450	2363	59.21
3	A₁	1339	1291	132.34
4	A₁	1199	1156	147.12
5	A₁	640	618	16.26
6	A₂	255	246	0.00
7	E	3602	3474	31.48
7	E	3602	3474	31.48
8	E	2507	2418	267.43
8	E	2507	2418	267.43
9	E	1668	1609	24.32
9	E	1668	1609	24.32
10	E	1201	1158	10.57
10	E	1201	1158	10.57
11	E	1064	1026	30.21
11	E	1064	1026	30.21
12	E	638	615	0.87
12	E	638	615	0.87

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.941
N2	0.000	0.000	0.734
H3	0.000	-1.185	-1.246
H4	-1.026	0.592	-1.246
H5	1.026	0.592	-1.246
H6	0.000	0.952	1.102
H7	-0.824	-0.476	1.102
H8	0.824	-0.476	1.102

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6742	1.2232	1.2232	1.2232	2.2532	2.2532	2.2532
N2	1.6742		2.3067	2.3067	2.3067	1.0206	1.0206	1.0206
H3	1.2232	2.3067		2.0517	2.0517	3.1741	2.5869	2.5869
H4	1.2232	2.3067	2.0517		2.0517	2.5869	2.5869	3.1741
H5	1.2232	2.3067	2.0517	2.0517		2.5869	3.1741	2.5869
H6	2.2532	1.0206	3.1741	2.5869	2.5869		1.6487	1.6487
H7	2.2532	1.0206	2.5869	2.5869	3.1741	1.6487		1.6487
H8	2.2532	1.0206	2.5869	3.1741	2.5869	1.6487	1.6487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.139	B1	N2	H7	111.139
B1	N2	H8	111.139	N2	B1	H3	104.446
N2	B1	H4	104.446	N2	B1	H5	104.446
H3	B1	H4	113.995	H3	B1	H5	113.995
H4	B1	H5	113.995	H6	N2	H7	107.753
H6	N2	H8	107.753	H7	N2	H8	107.753

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

using model chemistry: CCD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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