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	hartrees
Energy at 0K	-82.784753
Energy at 298.15K	-82.791621
HF Energy	-82.784753
Nuclear repulsion energy	40.871392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3374	3333	1.71
2	A₁	2398	2368	53.17
3	A₁	1288	1272	96.46
4	A₁	1124	1110	67.17
5	A₁	745	736	2.29
6	A₂	298	294	0.00
7	E	3477	3435	38.62
7	E	3477	3435	38.62
8	E	2468	2438	190.65
8	E	2468	2438	190.64
9	E	1589	1570	30.87
9	E	1589	1570	30.87
10	E	1122	1108	0.68
10	E	1122	1108	0.68
11	E	1045	1032	31.31
11	E	1045	1032	31.31
12	E	638	630	2.05
12	E	638	630	2.05

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.900
N2	0.000	0.000	0.709
H3	0.000	-1.170	-1.232
H4	-1.013	0.585	-1.232
H5	1.013	0.585	-1.232
H6	0.000	0.958	1.078
H7	-0.829	-0.479	1.078
H8	0.829	-0.479	1.078

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6091	1.2161	1.2161	1.2161	2.1978	2.1978	2.1978
N2	1.6091		2.2661	2.2661	2.2661	1.0264	1.0264	1.0264
H3	1.2161	2.2661		2.0265	2.0265	3.1404	2.5497	2.5497
H4	1.2161	2.2661	2.0265		2.0265	2.5497	2.5497	3.1404
H5	1.2161	2.2661	2.0265	2.0265		2.5497	3.1404	2.5497
H6	2.1978	1.0264	3.1404	2.5497	2.5497		1.6589	1.6589
H7	2.1978	1.0264	2.5497	2.5497	3.1404	1.6589		1.6589
H8	2.1978	1.0264	2.5497	3.1404	2.5497	1.6589	1.6589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	111.072	B1	N2	H7	111.072
B1	N2	H8	111.072	N2	B1	H3	105.828
N2	B1	H4	105.828	N2	B1	H5	105.828
H3	B1	H4	112.855	H3	B1	H5	112.855
H4	B1	H5	112.855	H6	N2	H7	107.824
H6	N2	H8	107.824	H7	N2	H8	107.824

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	B	-0.309
2	N	-0.426
3	H	-0.031
4	H	-0.031
5	H	-0.031
6	H	0.276
7	H	0.276
8	H	0.276

<r²>	32.755
(<r²>)^1/2	5.723

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

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

States and conformations

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