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	hartrees
Energy at 0K	-112.465514
Energy at 298.15K	-112.471126
Nuclear repulsion energy	11.754925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3525	3402	0.13
2	A	3439	3319	18.65
3	A	3378	3260	0.91
4	A	3238	3125	235.50
5	A	1757	1696	5.49
6	A	1745	1684	16.36
7	A	965	931	247.86
8	A	905	874	268.14
9	A	466	450	77.35
10	A	180	173	65.48
11	A	159	153	32.33
12	A	3526	3403	0.32
13	A	3500	3377	12.64
14	A	1803	1739	19.23
15	A	1750	1689	16.02
16	A	380	367	61.82
17	A	176	170	48.16
18	A	29	28	25.19

Atom	x (Å)	y (Å)	z (Å)
H1	-1.057	-1.555	0.000
N2	-0.035	-1.501	0.000
N3	-0.035	1.622	0.000
H4	0.337	-1.956	0.837
H5	0.337	-1.956	-0.837
H6	0.042	0.590	0.000
H7	0.415	2.013	-0.833
H8	0.415	2.013	0.833

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0236	3.3372	1.6752	1.6752	2.4096	3.9484	3.9484
N2	1.0236		3.1229	1.0233	1.0233	2.0920	3.6389	3.6389
N3	3.3372	3.1229		3.6938	3.6938	1.0351	1.0243	1.0243
H4	1.6752	1.0233	3.6938		1.6749	2.6965	4.3069	3.9698
H5	1.6752	1.0233	3.6938	1.6749		2.6965	3.9698	4.3069
H6	2.4096	2.0920	1.0351	2.6965	2.6965		1.6907	1.6907
H7	3.9484	3.6389	1.0243	4.3069	3.9698	1.6907		1.6658
H8	3.9484	3.6389	1.0243	3.9698	4.3069	1.6907	1.6658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	109.850	H1	N2	H5	109.850
H1	H3	N6	22.076	H1	H3	H7	119.852
H1	H3	H8	119.852	N2	H1	H3	69.141
H4	N2	H5	109.845	N6	H3	H7	110.358
N6	H3	H8	110.358	H7	H3	H8	108.808

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

using model chemistry: B3LYPultrafine_cp_opt/3-21G

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
	1.201	-3.337	0.000	3.547
CHELPG
AIM
ESP

	x	y	z
x	0.510	-0.284	0.000
y	-0.284	1.162	0.000
z	0.000	0.000	1.250

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYPultrafine_cp_opt/3-21G

States and conformations

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