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	hartrees
Energy at 0K	-82.759174
Energy at 298.15K	-82.766004
HF Energy	-82.759174
Nuclear repulsion energy	40.821207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3382	3319	0.98
2	A₁	2429	2384	54.36
3	A₁	1271	1248	106.67
4	A₁	1132	1111	53.37
5	A₁	742	728	2.32
6	A₂	286	281	0.00
7	E	3502	3437	36.95
7	E	3502	3437	36.96
8	E	2508	2461	171.65
8	E	2508	2461	171.66
9	E	1601	1571	32.17
9	E	1601	1571	32.17
10	E	1139	1118	0.39
10	E	1139	1118	0.39
11	E	1045	1025	35.07
11	E	1045	1025	35.08
12	E	627	615	4.84
12	E	627	615	4.84

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.903
N2	0.000	0.000	0.710
H3	0.000	-1.172	-1.230
H4	-1.015	0.586	-1.230
H5	1.015	0.586	-1.230
H6	0.000	0.959	1.077
H7	-0.831	-0.480	1.077
H8	0.831	-0.480	1.077

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6127	1.2173	1.2173	1.2173	2.2002	2.2002	2.2002
N2	1.6127		2.2670	2.2670	2.2670	1.0272	1.0272	1.0272
H3	1.2173	2.2670		2.0307	2.0307	3.1415	2.5486	2.5486
H4	1.2173	2.2670	2.0307		2.0307	2.5486	2.5486	3.1415
H5	1.2173	2.2670	2.0307	2.0307		2.5486	3.1415	2.5486
H6	2.2002	1.0272	3.1415	2.5486	2.5486		1.6616	1.6616
H7	2.2002	1.0272	2.5486	2.5486	3.1415	1.6616		1.6616
H8	2.2002	1.0272	2.5486	3.1415	2.5486	1.6616	1.6616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.953	B1	N2	H7	110.953
B1	N2	H8	110.953	N2	B1	H3	105.608
N2	B1	H4	105.608	N2	B1	H5	105.608
H3	B1	H4	113.042	H3	B1	H5	113.042
H4	B1	H5	113.042	H6	N2	H7	107.950
H6	N2	H8	107.950	H7	N2	H8	107.949

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	B	-0.172
2	N	-0.624
3	H	-0.065
4	H	-0.065
5	H	-0.065
6	H	0.330
7	H	0.330
8	H	0.330

<r²>	32.359
(<r²>)^1/2	5.688

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

using model chemistry: LSDA/6-31G**

States and conformations

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