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	hartrees
Energy at 0K	-82.918762
Energy at 298.15K	-82.925608
HF Energy	-82.610780
Nuclear repulsion energy	40.394686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3448	3347
2	A₁	2484	2411
3	A₁	1404	1363
4	A₁	1210	1175
5	A₁	672	652
6	A₂	266	259
7	E	3571	3466
7	E	3570	3466
8	E	2553	2478
8	E	2553	2478
9	E	1728	1677
9	E	1727	1676
10	E	1211	1176
10	E	1211	1176
11	E	1088	1056
11	E	1088	1056
12	E	659	639
12	E	658	639

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.934
N2	0.000	0.000	0.729
H3	0.000	-1.175	-1.241
H4	-1.018	0.588	-1.241
H5	1.018	0.588	-1.241
H6	0.000	0.954	1.098
H7	-0.826	-0.477	1.098
H8	0.826	-0.477	1.098

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6629	1.2148	1.2148	1.2148	2.2450	2.2450	2.2450
N2	1.6629		2.2936	2.2936	2.2936	1.0227	1.0227	1.0227
H3	1.2148	2.2936		2.0359	2.0359	3.1629	2.5770	2.5770
H4	1.2148	2.2936	2.0359		2.0359	2.5770	2.5770	3.1629
H5	1.2148	2.2936	2.0359	2.0359		2.5770	3.1629	2.5770
H6	2.2450	1.0227	3.1629	2.5770	2.5770		1.6518	1.6518
H7	2.2450	1.0227	2.5770	2.5770	3.1629	1.6518		1.6518
H8	2.2450	1.0227	2.5770	3.1629	2.5770	1.6518	1.6518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.177	B1	N2	H7	111.177
B1	N2	H8	111.177	N2	B1	H3	104.623
N2	B1	H4	104.623	N2	B1	H5	104.623
H3	B1	H4	113.853	H3	B1	H5	113.853
H4	B1	H5	113.853	H6	N2	H7	107.713
H6	N2	H8	107.713	H7	N2	H8	107.713

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/6-31G*

States and conformations

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