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	hartrees
Energy at 0K	-82.880681
Energy at 298.15K	-82.887543
HF Energy	-82.611335
Nuclear repulsion energy	40.479712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3543	3273	9.18
2	A₁	2532	2339	70.54
3	A₁	1427	1318	155.37
4	A₁	1235	1140	114.43
5	A₁	665	614	18.15
6	A₂	264	244	0.00
7	E	3665	3385	35.38
7	E	3665	3385	35.38
8	E	2602	2403	233.03
8	E	2602	2403	233.03
9	E	1757	1623	34.47
9	E	1757	1623	34.47
10	E	1238	1144	6.24
10	E	1238	1144	6.24
11	E	1105	1021	46.00
11	E	1105	1021	46.00
12	E	668	617	2.62
12	E	668	617	2.62

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.936
N2	0.000	0.000	0.730
H3	0.000	-1.171	-1.241
H4	-1.014	0.586	-1.241
H5	1.014	0.586	-1.241
H6	0.000	0.948	1.096
H7	-0.821	-0.474	1.096
H8	0.821	-0.474	1.096

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6662	1.2103	1.2103	1.2103	2.2422	2.2422	2.2422
N2	1.6662		2.2929	2.2929	2.2929	1.0165	1.0165	1.0165
H3	1.2103	2.2929		2.0286	2.0286	3.1549	2.5730	2.5730
H4	1.2103	2.2929	2.0286		2.0286	2.5730	2.5730	3.1549
H5	1.2103	2.2929	2.0286	2.0286		2.5730	3.1549	2.5730
H6	2.2422	1.0165	3.1549	2.5730	2.5730		1.6428	1.6428
H7	2.2422	1.0165	2.5730	2.5730	3.1549	1.6428		1.6428
H8	2.2422	1.0165	2.5730	3.1549	2.5730	1.6428	1.6428

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	104.596
N2	B1	H4	104.596	N2	B1	H5	104.596
H3	B1	H4	113.875	H3	B1	H5	113.875
H4	B1	H5	113.875	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: CID/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: CID/6-31G*

States and conformations

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