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	hartrees
Energy at 0K	-82.897709
Energy at 298.15K	-82.904566
HF Energy	-82.611147
Nuclear repulsion energy	40.451627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3511	3296	8.33
2	A₁	2521	2366	67.17
3	A₁	1413	1326	150.88
4	A₁	1224	1149	104.63
5	A₁	672	630	15.83
6	A₂	265	249	0.00
7	E	3631	3408	34.15
7	E	3631	3408	34.15
8	E	2594	2435	217.71
8	E	2594	2435	217.71
9	E	1741	1634	34.32
9	E	1741	1634	34.32
10	E	1226	1151	5.01
10	E	1226	1151	5.01
11	E	1097	1030	44.28
11	E	1097	1030	44.28
12	E	663	622	2.78
12	E	663	622	2.78

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.935
N2	0.000	0.000	0.730
H3	0.000	-1.172	-1.240
H4	-1.015	0.586	-1.240
H5	1.015	0.586	-1.240
H6	0.000	0.951	1.096
H7	-0.823	-0.475	1.096
H8	0.823	-0.475	1.096

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6650	1.2114	1.2114	1.2114	2.2428	2.2428	2.2428
N2	1.6650		2.2927	2.2927	2.2927	1.0189	1.0189	1.0189
H3	1.2114	2.2927		2.0304	2.0304	3.1571	2.5736	2.5736
H4	1.2114	2.2927	2.0304		2.0304	2.5736	2.5736	3.1571
H5	1.2114	2.2927	2.0304	2.0304		2.5736	3.1571	2.5736
H6	2.2428	1.0189	3.1571	2.5736	2.5736		1.6469	1.6469
H7	2.2428	1.0189	2.5736	2.5736	3.1571	1.6469		1.6469
H8	2.2428	1.0189	2.5736	3.1571	2.5736	1.6469	1.6469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.070	B1	N2	H7	111.070
B1	N2	H8	111.070	N2	B1	H3	104.601
N2	B1	H4	104.601	N2	B1	H5	104.601
H3	B1	H4	113.871	H3	B1	H5	113.871
H4	B1	H5	113.871	H6	N2	H7	107.826
H6	N2	H8	107.826	H7	N2	H8	107.826

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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