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	hartrees
Energy at 0K	-82.753180
Energy at 298.15K	-82.760014
HF Energy	-82.753180
Nuclear repulsion energy	40.746954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3358	3322	0.95
2	A₁	2396	2370	58.56
3	A₁	1250	1237	80.51
4	A₁	1111	1099	53.67
5	A₁	756	748	1.34
6	A₂	289	286	0.00
7	E	3471	3432	40.78
7	E	3471	3432	40.78
8	E	2476	2449	188.81
8	E	2476	2449	188.83
9	E	1559	1542	24.06
9	E	1559	1542	24.06
10	E	1102	1090	1.58
10	E	1102	1090	1.58
11	E	1025	1014	28.44
11	E	1025	1014	28.44
12	E	629	623	3.64
12	E	629	623	3.63

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.898
N2	0.000	0.000	0.705
H3	0.000	-1.183	-1.234
H4	-1.024	0.591	-1.234
H5	1.024	0.591	-1.234
H6	0.000	0.960	1.084
H7	-0.831	-0.480	1.084
H8	0.831	-0.480	1.084

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6033	1.2296	1.2296	1.2296	2.2024	2.2024	2.2024
N2	1.6033		2.2715	2.2715	2.2715	1.0317	1.0317	1.0317
H3	1.2296	2.2715		2.0486	2.0486	3.1567	2.5612	2.5612
H4	1.2296	2.2715	2.0486		2.0486	2.5612	2.5612	3.1567
H5	1.2296	2.2715	2.0486	2.0486		2.5612	3.1567	2.5612
H6	2.2024	1.0317	3.1567	2.5612	2.5612		1.6621	1.6621
H7	2.2024	1.0317	2.5612	2.5612	3.1567	1.6621		1.6621
H8	2.2024	1.0317	2.5612	3.1567	2.5612	1.6621	1.6621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.555	B1	N2	H7	111.555
B1	N2	H8	111.555	N2	B1	H3	105.857
N2	B1	H4	105.857	N2	B1	H5	105.857
H3	B1	H4	112.831	H3	B1	H5	112.831
H4	B1	H5	112.831	H6	N2	H7	107.309
H6	N2	H8	107.309	H7	N2	H8	107.309

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

using model chemistry: LSDA/cc-pVDZ

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	-0.418
2	N	0.057
3	H	-0.040
4	H	-0.040
5	H	-0.040
6	H	0.161
7	H	0.161
8	H	0.161

<r²>	32.669
(<r²>)^1/2	5.716

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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