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	hartrees
Energy at 0K	-82.950800
Energy at 298.15K	-82.957686
HF Energy	-82.631426
Nuclear repulsion energy	40.498852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3479	3349
2	A₁	2414	2324
3	A₁	1407	1354
4	A₁	1186	1141
5	A₁	681	655
6	A₂	282	272
7	E	3591	3457
7	E	3591	3456
8	E	2474	2382
8	E	2474	2382
9	E	1743	1678
9	E	1742	1677
10	E	1177	1133
10	E	1177	1133
11	E	1087	1046
11	E	1087	1046
12	E	668	643
12	E	668	643

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.928
N2	0.000	0.000	0.729
H3	0.000	-1.176	-1.244
H4	-1.019	0.588	-1.244
H5	1.019	0.588	-1.244
H6	0.000	0.951	1.090
H7	-0.823	-0.475	1.090
H8	0.823	-0.475	1.090

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6565	1.2181	1.2181	1.2181	2.2308	2.2308	2.2308
N2	1.6565		2.2968	2.2968	2.2968	1.0173	1.0173	1.0173
H3	1.2181	2.2968		2.0375	2.0375	3.1581	2.5725	2.5725
H4	1.2181	2.2968	2.0375		2.0375	2.5725	2.5725	3.1581
H5	1.2181	2.2968	2.0375	2.0375		2.5725	3.1581	2.5725
H6	2.2308	1.0173	3.1581	2.5725	2.5725		1.6470	1.6470
H7	2.2308	1.0173	2.5725	2.5725	3.1581	1.6470		1.6470
H8	2.2308	1.0173	2.5725	3.1581	2.5725	1.6470	1.6470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.816	B1	N2	H7	110.816
B1	N2	H8	110.816	N2	B1	H3	105.042
N2	B1	H4	105.042	N2	B1	H5	105.042
H3	B1	H4	113.513	H3	B1	H5	113.513
H4	B1	H5	113.513	H6	N2	H7	108.093
H6	N2	H8	108.093	H7	N2	H8	108.093

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

using model chemistry: CCSD(T)/6-311G*

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)/6-311G*

States and conformations

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