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	hartrees
Energy at 0K	-82.917890
Energy at 298.15K	-82.924802
HF Energy	-82.631929
Nuclear repulsion energy	40.631378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3574	3307	6.77
2	A₁	2462	2278	70.95
3	A₁	1433	1326	147.97
4	A₁	1215	1124	117.08
5	A₁	677	627	15.09
6	A₂	283	262	0.00
7	E	3682	3407	29.60
7	E	3682	3407	29.60
8	E	2520	2332	262.69
8	E	2520	2332	262.69
9	E	1776	1643	34.61
9	E	1776	1643	34.61
10	E	1208	1118	3.61
10	E	1208	1118	3.61
11	E	1108	1025	45.23
11	E	1108	1025	45.23
12	E	680	629	0.91
12	E	680	629	0.91

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.927
N2	0.000	0.000	0.729
H3	0.000	-1.171	-1.242
H4	-1.014	0.586	-1.242
H5	1.014	0.586	-1.242
H6	0.000	0.945	1.087
H7	-0.819	-0.473	1.087
H8	0.819	-0.473	1.087

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6559	1.2129	1.2129	1.2129	2.2250	2.2250	2.2250
N2	1.6559		2.2924	2.2924	2.2924	1.0109	1.0109	1.0109
H3	1.2129	2.2924		2.0290	2.0290	3.1470	2.5655	2.5655
H4	1.2129	2.2924	2.0290		2.0290	2.5655	2.5655	3.1470
H5	1.2129	2.2924	2.0290	2.0290		2.5655	3.1470	2.5655
H6	2.2250	1.0109	3.1470	2.5655	2.5655		1.6372	1.6372
H7	2.2250	1.0109	2.5655	2.5655	3.1470	1.6372		1.6372
H8	2.2250	1.0109	2.5655	3.1470	2.5655	1.6372	1.6372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.762	B1	N2	H7	110.762
B1	N2	H8	110.762	N2	B1	H3	105.032
N2	B1	H4	105.032	N2	B1	H5	105.032
H3	B1	H4	113.522	H3	B1	H5	113.522
H4	B1	H5	113.522	H6	N2	H7	108.150
H6	N2	H8	108.150	H7	N2	H8	108.150

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

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

States and conformations

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