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	hartrees
Energy at 0K	-82.927242
Energy at 298.15K	-82.934120
HF Energy	-82.623668
Nuclear repulsion energy	40.434907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3496	3322	7.13	87.75	0.00	0.00
2	A₁	2492	2368	74.43	159.98	0.04	0.07
3	A₁	1327	1261	113.97	3.23	0.40	0.57
4	A₁	1207	1148	113.10	2.87	0.65	0.79
5	A₁	681	648	11.83	4.00	0.31	0.47
6	A₂	286	271	0.00	0.00	0.00	0.00
7	E	3636	3455	43.07	41.36	0.75	0.86
7	E	3636	3455	43.07	41.36	0.75	0.86
8	E	2566	2438	249.87	54.86	0.75	0.86
8	E	2566	2438	249.87	54.86	0.75	0.86
9	E	1662	1580	22.18	6.99	0.75	0.86
9	E	1662	1580	22.18	6.99	0.75	0.86
10	E	1210	1150	5.04	15.04	0.75	0.86
10	E	1210	1150	5.04	15.04	0.75	0.86
11	E	1076	1023	40.15	11.38	0.75	0.86
11	E	1076	1023	40.15	11.38	0.75	0.86
12	E	649	617	1.63	1.52	0.75	0.86
12	E	649	617	1.63	1.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.929
N2	0.000	0.000	0.724
H3	0.000	-1.181	-1.241
H4	-1.023	0.591	-1.241
H5	1.023	0.591	-1.241
H6	0.000	0.951	1.099
H7	-0.823	-0.475	1.099
H8	0.823	-0.475	1.099

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6534	1.2217	1.2217	1.2217	2.2401	2.2401	2.2401
N2	1.6534		2.2927	2.2927	2.2927	1.0221	1.0221	1.0221
H3	1.2217	2.2927		2.0461	2.0461	3.1656	2.5790	2.5790
H4	1.2217	2.2927	2.0461		2.0461	2.5790	2.5790	3.1656
H5	1.2217	2.2927	2.0461	2.0461		2.5790	3.1656	2.5790
H6	2.2401	1.0221	3.1656	2.5790	2.5790		1.6469	1.6469
H7	2.2401	1.0221	2.5790	2.5790	3.1656	1.6469		1.6469
H8	2.2401	1.0221	2.5790	3.1656	2.5790	1.6469	1.6469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.521	B1	N2	H7	111.521
B1	N2	H8	111.521	N2	B1	H3	104.773
N2	B1	H4	104.773	N2	B1	H5	104.773
H3	B1	H4	113.733	H3	B1	H5	113.733
H4	B1	H5	113.733	H6	N2	H7	107.346
H6	N2	H8	107.346	H7	N2	H8	107.346

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

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