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	hartrees
Energy at 0K	-56.566984
Energy at 298.15K	-56.572207
HF Energy	-56.566984
Nuclear repulsion energy	11.900822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3622	3491	7.89
2	A'	3581	3452	59.81
3	A'	3483	3357	1.66
4	A'	3439	3315	91.94
5	A'	1679	1618	14.56
6	A'	1667	1607	31.98
7	A'	1052	1014	108.29
8	A'	1038	1000	357.72
9	A'	409	394	46.64
10	A'	142	137	43.97
11	A'	88	85	102.80
12	A"	3625	3494	5.65
13	A"	3620	3490	1.17
14	A"	1701	1640	27.27
15	A"	1677	1616	23.55
16	A"	255	246	68.79
17	A"	122	118	52.66
18	A"	51	49	6.77

Atom	x (Å)	y (Å)	z (Å)
H1	0.248	0.700	0.000
N2	-0.025	1.683	0.000
N3	-0.025	-1.582	0.000
H4	0.378	2.128	0.820
H5	0.378	2.128	-0.820
H6	-1.020	-1.376	0.000
H7	0.180	-2.144	-0.822
H8	0.180	-2.144	0.822

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0209	2.2982	1.6520	1.6520	2.4329	2.9605	2.9605
N2	1.0209		3.2657	1.0160	1.0160	3.2176	3.9197	3.9197
N3	2.2982	3.2657		3.8210	3.8210	1.0166	1.0160	1.0160
H4	1.6520	1.0160	3.8210		1.6400	3.8610	4.5805	4.2762
H5	1.6520	1.0160	3.8210	1.6400		3.8610	4.2762	4.5805
H6	2.4329	3.2176	1.0166	3.8610	3.8610		1.6446	1.6446
H7	2.9605	3.9197	1.0160	4.5805	4.2762	1.6446		1.6434
H8	2.9605	3.9197	1.0160	4.2762	4.5805	1.6446	1.6434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	108.391	H1	N2	H5	108.391
H1	H3	N6	85.132	H1	H3	H7	121.652
H1	H3	H8	121.652	N2	H1	H3	157.668
H4	N2	H5	107.630	N6	H3	H7	108.015
N6	H3	H8	108.015	H7	H3	H8	107.943

All results from a given calculation for NH₃NH₃ (Ammonia Dimer)

using model chemistry: B3LYPultrafine_cp_opt/6-31+G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	y	z	Total
	0.790	-2.027	0.000	2.176
CHELPG
AIM
ESP

	x	y	z
x	1.544	0.081	0.000
y	0.081	1.801	0.000
z	0.000	0.000	1.519

<r²>	70.638
(<r²>)^1/2	8.405

All results from a given calculation for NH3NH3 (Ammonia Dimer)

using model chemistry: B3LYPultrafine_cp_opt/6-31+G**

States and conformations

All results from a given calculation for NH₃NH₃ (Ammonia Dimer)