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	hartrees
Energy at 0K	-83.023417
Energy at 298.15K	-83.018526
HF Energy	-82.610454
Nuclear repulsion energy	40.424894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3704	3704	13.08
2	A₁	2536	2536	85.30
3	A₁	1485	1485	183.57
4	A₁	1273	1273	159.35
5	A₁	599	599	31.60
6	A₂	259	259	0.00
7	E	3826	3826	41.36
7	E	3826	3826	41.36
8	E	2586	2586	309.49
8	E	2586	2586	309.49
9	E	1846	1846	35.48
9	E	1846	1846	35.48
10	E	1287	1287	13.47
10	E	1287	1287	13.47
11	E	1134	1134	49.24
11	E	1134	1134	49.24
12	E	685	685	2.68
12	E	685	685	2.68

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.947
N2	0.000	0.000	0.742
H3	0.000	-1.175	-1.248
H4	-1.018	0.588	-1.248
H5	1.018	0.588	-1.248
H6	0.000	0.938	1.095
H7	-0.812	-0.469	1.095
H8	0.812	-0.469	1.095

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6893	1.2131	1.2131	1.2131	2.2479	2.2479	2.2479
N2	1.6893		2.3110	2.3110	2.3110	1.0023	1.0023	1.0023
H3	1.2131	2.3110		2.0357	2.0357	3.1555	2.5788	2.5788
H4	1.2131	2.3110	2.0357		2.0357	2.5788	2.5788	3.1555
H5	1.2131	2.3110	2.0357	2.0357		2.5788	3.1555	2.5788
H6	2.2479	1.0023	3.1555	2.5788	2.5788		1.6245	1.6245
H7	2.2479	1.0023	2.5788	2.5788	3.1555	1.6245		1.6245
H8	2.2479	1.0023	2.5788	3.1555	2.5788	1.6245	1.6245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.653	B1	N2	H7	110.653
B1	N2	H8	110.653	N2	B1	H3	104.343
N2	B1	H4	104.343	N2	B1	H5	104.343
H3	B1	H4	114.076	H3	B1	H5	114.076
H4	B1	H5	114.076	H6	N2	H7	108.264
H6	N2	H8	108.264	H7	N2	H8	108.264

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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