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	hartrees
Energy at 0K	-82.882111
Energy at 298.15K	-82.888970
HF Energy	-82.611315
Nuclear repulsion energy	40.465514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3536	3273	8.72
2	A₁	2528	2340	70.46
3	A₁	1425	1320	153.08
4	A₁	1233	1141	114.55
5	A₁	662	613	17.97
6	A₂	264	244	0.00
7	E	3656	3385	33.96
7	E	3656	3385	33.96
8	E	2595	2402	235.26
8	E	2595	2402	235.26
9	E	1756	1626	33.99
9	E	1756	1626	33.99
10	E	1237	1145	6.47
10	E	1237	1145	6.47
11	E	1103	1021	45.88
11	E	1103	1021	45.88
12	E	667	617	2.60
12	E	667	617	2.60

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.936
N2	0.000	0.000	0.731
H3	0.000	-1.172	-1.241
H4	-1.015	0.586	-1.241
H5	1.015	0.586	-1.241
H6	0.000	0.949	1.096
H7	-0.822	-0.474	1.096
H8	0.822	-0.474	1.096

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6669	1.2106	1.2106	1.2106	2.2431	2.2431	2.2431
N2	1.6669		2.2935	2.2935	2.2935	1.0168	1.0168	1.0168
H3	1.2106	2.2935		2.0294	2.0294	3.1558	2.5738	2.5738
H4	1.2106	2.2935	2.0294		2.0294	2.5738	2.5738	3.1558
H5	1.2106	2.2935	2.0294	2.0294		2.5738	3.1558	2.5738
H6	2.2431	1.0168	3.1558	2.5738	2.5738		1.6434	1.6434
H7	2.2431	1.0168	2.5738	2.5738	3.1558	1.6434		1.6434
H8	2.2431	1.0168	2.5738	3.1558	2.5738	1.6434	1.6434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.077	B1	N2	H7	111.077
B1	N2	H8	111.077	N2	B1	H3	104.576
N2	B1	H4	104.576	N2	B1	H5	104.576
H3	B1	H4	113.891	H3	B1	H5	113.891
H4	B1	H5	113.891	H6	N2	H7	107.819
H6	N2	H8	107.819	H7	N2	H8	107.819

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

using model chemistry: CISD/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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All results from a given calculation for BH3NH3 (borane ammonia)

using model chemistry: CISD/6-31G*

States and conformations

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