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	hartrees
Energy at 0K	-83.094708
Energy at 298.15K	-83.101591
HF Energy	-82.652783
Nuclear repulsion energy	40.803044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3490	3361
2	A₁	2477	2386
3	A₁	1338	1288
4	A₁	1213	1168
5	A₁	695	669
6	A₂	273	263
7	E	3606	3472
7	E	3606	3472
8	E	2542	2448
8	E	2542	2448
9	E	1683	1621
9	E	1682	1620
10	E	1224	1179
10	E	1224	1179
11	E	1084	1044
11	E	1084	1044
12	E	653	628
12	E	653	628

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.921
N2	0.000	0.000	0.723
H3	0.000	-1.160	-1.238
H4	-1.005	0.580	-1.238
H5	1.005	0.580	-1.238
H6	0.000	0.946	1.085
H7	-0.819	-0.473	1.085
H8	0.819	-0.473	1.085

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6441	1.2025	1.2025	1.2025	2.2179	2.2179	2.2179
N2	1.6441		2.2782	2.2782	2.2782	1.0128	1.0128	1.0128
H3	1.2025	2.2782		2.0094	2.0094	3.1353	2.5569	2.5569
H4	1.2025	2.2782	2.0094		2.0094	2.5569	2.5569	3.1353
H5	1.2025	2.2782	2.0094	2.0094		2.5569	3.1353	2.5569
H6	2.2179	1.0128	3.1353	2.5569	2.5569		1.6384	1.6384
H7	2.2179	1.0128	2.5569	2.5569	3.1353	1.6384		1.6384
H8	2.2179	1.0128	2.5569	3.1353	2.5569	1.6384	1.6384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.937	B1	N2	H7	110.937
B1	N2	H8	110.937	N2	B1	H3	105.263
N2	B1	H4	105.263	N2	B1	H5	105.263
H3	B1	H4	113.331	H3	B1	H5	113.331
H4	B1	H5	113.331	H6	N2	H7	107.966
H6	N2	H8	107.966	H7	N2	H8	107.966

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

using model chemistry: MP4=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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