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	hartrees
Energy at 0K	-23.367003
Energy at 298.15K	-23.372597
Nuclear repulsion energy	27.880676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3650	3494	0.00
2	A	3503	3353	0.00
3	A	1712	1639	0.00
4	A	1161	1111	0.00
5	A	548	524	0.00
6	A	163	156	0.00
7	A	3661	3505	1.69
8	A	1718	1645	35.08
9	A	242	232	144.74
10	A	84	80	31.77
11	A	3661	3504	0.00
12	A	1704	1631	0.00
13	A	107	102	0.00
14	A	3644	3488	26.65
15	A	3502	3353	16.09
16	A	1683	1611	21.39
17	A	1107	1060	437.75
18	A	208	199	308.24

Atom	x (Å)	y (Å)	z (Å)
H1	0.679	0.823	0.000
N2	0.000	1.588	0.000
N3	0.000	-1.588	0.000
H4	0.197	2.165	0.819
H5	0.197	2.165	-0.819
H6	-0.679	-0.823	0.000
H7	-0.197	-2.165	-0.819
H8	-0.197	-2.165	0.819

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0229	2.5048	1.6442	1.6442	2.1335	3.2194	3.2194
N2	1.0229		3.1763	1.0208	1.0208	2.5048	3.8463	3.8463
N3	2.5048	3.1763		3.8463	3.8463	1.0229	1.0208	1.0208
H4	1.6442	1.0208	3.8463		1.6378	3.2194	4.6459	4.3476
H5	1.6442	1.0208	3.8463	1.6378		3.2194	4.3476	4.6459
H6	2.1335	2.5048	1.0229	3.2194	3.2194		1.6442	1.6442
H7	3.2194	3.8463	1.0208	4.6459	4.3476	1.6442		1.6378
H8	3.2194	3.8463	1.0208	4.3476	4.6459	1.6442	1.6378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	107.125	H1	N2	H5	107.125
H1	H3	N6	57.299	H1	H3	H7	126.593
H1	H3	H8	126.593	N2	H1	H3	122.701
H4	N2	H5	106.685	N6	H3	H7	107.125
N6	H3	H8	107.125	H7	H3	H8	106.685

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

using model chemistry: B1B95/CEP-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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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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Number	Element	Mulliken
1	H	0.295
2	N	-0.820
3	N	-0.820
4	H	0.262
5	H	0.262
6	H	0.295
7	H	0.262
8	H	0.262

	x	y	z
x	1.701	-0.222	0.000
y	-0.222	3.444	0.000
z	0.000	0.000	2.899

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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