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	hartrees
Energy at 0K	-83.047685
Energy at 298.15K	-83.054561
HF Energy	-82.653029
Nuclear repulsion energy	40.717411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3532	3337	6.56
2	A₁	2475	2338	65.54
3	A₁	1354	1280	128.28
4	A₁	1219	1152	134.24
5	A₁	686	648	12.64
6	A₂	267	252	0.00
7	E	3644	3443	39.71
7	E	3644	3443	39.71
8	E	2537	2396	245.68
8	E	2537	2396	245.68
9	E	1693	1600	26.27
9	E	1693	1600	26.27
10	E	1223	1155	5.27
10	E	1223	1155	5.27
11	E	1088	1027	33.73
11	E	1088	1027	33.73
12	E	655	619	1.35
12	E	655	619	1.35

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.926
N2	0.000	0.000	0.726
H3	0.000	-1.166	-1.237
H4	-1.010	0.583	-1.237
H5	1.010	0.583	-1.237
H6	0.000	0.944	1.087
H7	-0.818	-0.472	1.087
H8	0.818	-0.472	1.087

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6518	1.2074	1.2074	1.2074	2.2235	2.2235	2.2235
N2	1.6518		2.2837	2.2837	2.2837	1.0110	1.0110	1.0110
H3	1.2074	2.2837		2.0204	2.0204	3.1398	2.5601	2.5601
H4	1.2074	2.2837	2.0204		2.0204	2.5601	2.5601	3.1398
H5	1.2074	2.2837	2.0204	2.0204		2.5601	3.1398	2.5601
H6	2.2235	1.0110	3.1398	2.5601	2.5601		1.6356	1.6356
H7	2.2235	1.0110	2.5601	2.5601	3.1398	1.6356		1.6356
H8	2.2235	1.0110	2.5601	3.1398	2.5601	1.6356	1.6356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.933	B1	N2	H7	110.933
B1	N2	H8	110.933	N2	B1	H3	104.951
N2	B1	H4	104.951	N2	B1	H5	104.951
H3	B1	H4	113.588	H3	B1	H5	113.588
H4	B1	H5	113.588	H6	N2	H7	107.971
H6	N2	H8	107.971	H7	N2	H8	107.971

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

using model chemistry: MP3/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: MP3/cc-pVTZ

States and conformations

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