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	hartrees
Energy at 0K	-82.959895
Energy at 298.15K	-82.966770
HF Energy	-82.624508
Nuclear repulsion energy	40.683128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3576	3576	6.82
2	A₁	2554	2554	69.94
3	A₁	1389	1389	142.01
4	A₁	1247	1247	125.79
5	A₁	672	672	15.48
6	A₂	270	270	0.00
7	E	3702	3702	33.31
7	E	3702	3702	33.32
8	E	2630	2630	227.37
8	E	2630	2630	227.37
9	E	1727	1727	29.69
9	E	1727	1727	29.69
10	E	1253	1253	8.06
10	E	1253	1253	8.06
11	E	1104	1104	43.83
11	E	1104	1104	43.83
12	E	658	658	2.16
12	E	658	658	2.16

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.932
N2	0.000	0.000	0.727
H3	0.000	-1.164	-1.232
H4	-1.008	0.582	-1.232
H5	1.008	0.582	-1.232
H6	0.000	0.945	1.090
H7	-0.818	-0.473	1.090
H8	0.818	-0.473	1.090

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6590	1.2020	1.2020	1.2020	2.2318	2.2318	2.2318
N2	1.6590		2.2790	2.2790	2.2790	1.0123	1.0123	1.0123
H3	1.2020	2.2790		2.0159	2.0159	3.1369	2.5574	2.5574
H4	1.2020	2.2790	2.0159		2.0159	2.5574	2.5574	3.1369
H5	1.2020	2.2790	2.0159	2.0159		2.5574	3.1369	2.5574
H6	2.2318	1.0123	3.1369	2.5574	2.5574		1.6369	1.6369
H7	2.2318	1.0123	2.5574	2.5574	3.1369	1.6369		1.6369
H8	2.2318	1.0123	2.5574	3.1369	2.5574	1.6369	1.6369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.998	B1	N2	H7	110.998
B1	N2	H8	110.998	N2	B1	H3	104.469
N2	B1	H4	104.469	N2	B1	H5	104.469
H3	B1	H4	113.976	H3	B1	H5	113.976
H4	B1	H5	113.976	H6	N2	H7	107.902
H6	N2	H8	107.902	H7	N2	H8	107.902

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

using model chemistry: MP3=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: MP3=FULL/6-31G**

States and conformations

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