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	hartrees
Energy at 0K	-82.950877
Energy at 298.15K	-82.957754
HF Energy	-82.624510
Nuclear repulsion energy	40.644156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3574	3326	6.75
2	A₁	2547	2370	70.14
3	A₁	1389	1292	141.52
4	A₁	1246	1159	126.61
5	A₁	672	626	15.64
6	A₂	270	252	0.00
7	E	3699	3442	32.90
7	E	3699	3442	32.90
8	E	2621	2439	228.66
8	E	2621	2439	228.66
9	E	1725	1605	29.47
9	E	1725	1605	29.47
10	E	1252	1165	8.64
10	E	1252	1165	8.64
11	E	1102	1025	43.84
11	E	1102	1025	43.84
12	E	657	611	2.16
12	E	657	611	2.16

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.933
N2	0.000	0.000	0.727
H3	0.000	-1.166	-1.233
H4	-1.009	0.583	-1.233
H5	1.009	0.583	-1.233
H6	0.000	0.946	1.091
H7	-0.819	-0.473	1.091
H8	0.819	-0.473	1.091

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6605	1.2037	1.2037	1.2037	2.2341	2.2341	2.2341
N2	1.6605		2.2811	2.2811	2.2811	1.0131	1.0131	1.0131
H3	1.2037	2.2811		2.0188	2.0188	3.1401	2.5601	2.5601
H4	1.2037	2.2811	2.0188		2.0188	2.5601	2.5601	3.1401
H5	1.2037	2.2811	2.0188	2.0188		2.5601	3.1401	2.5601
H6	2.2341	1.0131	3.1401	2.5601	2.5601		1.6377	1.6377
H7	2.2341	1.0131	2.5601	2.5601	3.1401	1.6377		1.6377
H8	2.2341	1.0131	2.5601	3.1401	2.5601	1.6377	1.6377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.040	B1	N2	H7	111.040
B1	N2	H8	111.040	N2	B1	H3	104.452
N2	B1	H4	104.452	N2	B1	H5	104.452
H3	B1	H4	113.990	H3	B1	H5	113.990
H4	B1	H5	113.990	H6	N2	H7	107.858
H6	N2	H8	107.858	H7	N2	H8	107.858

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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