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	hartrees
Energy at 0K	-82.376976
Energy at 298.15K	-82.383836
HF Energy	-82.165225
Nuclear repulsion energy	39.864102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3364	3233	4.56
2	A₁	2448	2352	50.88
3	A₁	1408	1354	163.46
4	A₁	1204	1157	101.75
5	A₁	669	643	11.67
6	A₂	255	245	0.00
7	E	3472	3337	25.53
7	E	3472	3337	25.53
8	E	2517	2420	180.97
8	E	2517	2420	180.97
9	E	1762	1694	32.09
9	E	1762	1694	32.09
10	E	1207	1160	6.13
10	E	1207	1160	6.13
11	E	1097	1055	50.04
11	E	1097	1055	50.04
12	E	676	650	2.42
12	E	676	650	2.42

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.954
N2	0.000	0.000	0.751
H3	0.000	-1.183	-1.260
H4	-1.024	0.591	-1.260
H5	1.024	0.591	-1.260
H6	0.000	0.969	1.097
H7	-0.839	-0.484	1.097
H8	0.839	-0.484	1.097

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.7057	1.2218	1.2218	1.2218	2.2684	2.2684	2.2684
N2	1.7057		2.3334	2.3334	2.3334	1.0284	1.0284	1.0284
H3	1.2218	2.3334		2.0490	2.0490	3.1912	2.5974	2.5974
H4	1.2218	2.3334	2.0490		2.0490	2.5974	2.5974	3.1912
H5	1.2218	2.3334	2.0490	2.0490		2.5974	3.1912	2.5974
H6	2.2684	1.0284	3.1912	2.5974	2.5974		1.6776	1.6776
H7	2.2684	1.0284	2.5974	2.5974	3.1912	1.6776		1.6776
H8	2.2684	1.0284	2.5974	3.1912	2.5974	1.6776	1.6776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	109.634	B1	N2	H7	109.634
B1	N2	H8	109.634	N2	B1	H3	104.486
N2	B1	H4	104.486	N2	B1	H5	104.486
H3	B1	H4	113.963	H3	B1	H5	113.963
H4	B1	H5	113.963	H6	N2	H7	109.308
H6	N2	H8	109.308	H7	N2	H8	109.308

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

using model chemistry: QCISD/3-21G*

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: QCISD/3-21G*

States and conformations

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