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	hartrees
Energy at 0K	-82.994010
Energy at 298.15K	-83.000897
HF Energy	-82.643280
Nuclear repulsion energy	40.525071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3500	3340	5.77
2	A₁	2458	2345	68.29
3	A₁	1371	1308	114.42
4	A₁	1220	1164	136.54
5	A₁	670	640	13.67
6	A₂	282	269	0.00
7	E	3612	3446	29.31
7	E	3612	3446	29.31
8	E	2515	2400	254.15
8	E	2515	2400	254.15
9	E	1681	1604	24.60
9	E	1681	1604	24.60
10	E	1222	1166	7.75
10	E	1222	1166	7.75
11	E	1087	1037	39.53
11	E	1087	1037	39.53
12	E	658	627	0.67
12	E	658	627	0.67

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.932
N2	0.000	0.000	0.728
H3	0.000	-1.172	-1.239
H4	-1.015	0.586	-1.239
H5	1.015	0.586	-1.239
H6	0.000	0.949	1.094
H7	-0.822	-0.474	1.094
H8	0.822	-0.474	1.094

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6596	1.2119	1.2119	1.2119	2.2371	2.2371	2.2371
N2	1.6596		2.2893	2.2893	2.2893	1.0171	1.0171	1.0171
H3	1.2119	2.2893		2.0307	2.0307	3.1529	2.5698	2.5698
H4	1.2119	2.2893	2.0307		2.0307	2.5698	2.5698	3.1529
H5	1.2119	2.2893	2.0307	2.0307		2.5698	3.1529	2.5698
H6	2.2371	1.0171	3.1529	2.5698	2.5698		1.6434	1.6434
H7	2.2371	1.0171	2.5698	2.5698	3.1529	1.6434		1.6434
H8	2.2371	1.0171	2.5698	3.1529	2.5698	1.6434	1.6434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.111	B1	N2	H7	111.111
B1	N2	H8	111.111	N2	B1	H3	104.660
N2	B1	H4	104.660	N2	B1	H5	104.660
H3	B1	H4	113.824	H3	B1	H5	113.824
H4	B1	H5	113.824	H6	N2	H7	107.783
H6	N2	H8	107.783	H7	N2	H8	107.783

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

using model chemistry: QCISD/6-311G**

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/6-311G**

States and conformations

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