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	hartrees
Energy at 0K	-82.989625
Energy at 298.15K	-82.996418
HF Energy	-82.628506
Nuclear repulsion energy	40.249540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3447	3361
2	A₁	2453	2392
3	A₁	1325	1292
4	A₁	1191	1162
5	A₁	642	627
6	A₂	253	247
7	E	3577	3488
7	E	3577	3488
8	E	2512	2450
8	E	2512	2450
9	E	1657	1616
9	E	1656	1615
10	E	1195	1166
10	E	1195	1166
11	E	1056	1030
11	E	1056	1030
12	E	631	616
12	E	631	616

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.940
N2	0.000	0.000	0.733
H3	0.000	-1.184	-1.244
H4	-1.025	0.592	-1.244
H5	1.025	0.592	-1.244
H6	0.000	0.953	1.102
H7	-0.825	-0.476	1.102
H8	0.825	-0.476	1.102

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6728	1.2223	1.2223	1.2223	2.2536	2.2536	2.2536
N2	1.6728		2.3043	2.3043	2.3043	1.0220	1.0220	1.0220
H3	1.2223	2.3043		2.0505	2.0505	3.1735	2.5859	2.5859
H4	1.2223	2.3043	2.0505		2.0505	2.5859	2.5859	3.1735
H5	1.2223	2.3043	2.0505	2.0505		2.5859	3.1735	2.5859
H6	2.2536	1.0220	3.1735	2.5859	2.5859		1.6504	1.6504
H7	2.2536	1.0220	2.5859	2.5859	3.1735	1.6504		1.6504
H8	2.2536	1.0220	2.5859	3.1735	2.5859	1.6504	1.6504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.195	B1	N2	H7	111.195
B1	N2	H8	111.195	N2	B1	H3	104.407
N2	B1	H4	104.407	N2	B1	H5	104.407
H3	B1	H4	114.025	H3	B1	H5	114.025
H4	B1	H5	114.025	H6	N2	H7	107.694
H6	N2	H8	107.694	H7	N2	H8	107.694

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

using model chemistry: MP4=FULL/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: MP4=FULL/aug-cc-pVDZ

States and conformations

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