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	hartrees
Energy at 0K	-83.049364
Energy at 298.15K	-83.056235
HF Energy	-82.652984
Nuclear repulsion energy	40.667547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3511	3278	5.92
2	A₁	2461	2298	65.52
3	A₁	1357	1267	127.30
4	A₁	1218	1138	135.42
5	A₁	679	634	13.24
6	A₂	266	248	0.00
7	E	3627	3386	37.74
7	E	3627	3386	37.75
8	E	2521	2354	247.67
8	E	2521	2354	247.67
9	E	1693	1581	25.79
9	E	1693	1581	25.79
10	E	1221	1140	5.86
10	E	1221	1140	5.86
11	E	1086	1014	33.55
11	E	1086	1014	33.55
12	E	655	611	1.32
12	E	655	611	1.32

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.927
N2	0.000	0.000	0.726
H3	0.000	-1.168	-1.238
H4	-1.012	0.584	-1.238
H5	1.012	0.584	-1.238
H6	0.000	0.945	1.089
H7	-0.818	-0.472	1.089
H8	0.818	-0.472	1.089

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6538	1.2090	1.2090	1.2090	2.2270	2.2270	2.2270
N2	1.6538		2.2858	2.2858	2.2858	1.0122	1.0122	1.0122
H3	1.2090	2.2858		2.0236	2.0236	3.1437	2.5633	2.5633
H4	1.2090	2.2858	2.0236		2.0236	2.5633	2.5633	3.1437
H5	1.2090	2.2858	2.0236	2.0236		2.5633	3.1437	2.5633
H6	2.2270	1.0122	3.1437	2.5633	2.5633		1.6367	1.6367
H7	2.2270	1.0122	2.5633	2.5633	3.1437	1.6367		1.6368
H8	2.2270	1.0122	2.5633	3.1437	2.5633	1.6367	1.6368

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	104.898
N2	B1	H4	104.898	N2	B1	H5	104.898
H3	B1	H4	113.631	H3	B1	H5	113.631
H4	B1	H5	113.631	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: CCD/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: CCD/cc-pVTZ

States and conformations

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