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	hartrees
Energy at 0K	-112.473163
Energy at 298.15K	-112.479319
Counterpoise corrected energy	-112.465514
CP Energy at 298.15K	-112.471126
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	41.566189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3506	3383	50.80
2	A	3503	3380	0.01
3	A	3358	3240	103.75
4	A	3340	3223	0.00
5	A	1749	1688	0.00
6	A	1716	1656	14.82
7	A	1017	981	0.00
8	A	853	823	579.95
9	A	609	588	0.00
10	A	232	224	0.00
11	A	188	181	417.83
12	A	3532	3408	2.22
13	A	3531	3407	0.00
14	A	1785	1722	29.93
15	A	1770	1708	0.00
16	A	364	351	92.19
17	A	245	237	0.00
18	A	167	162	40.83

Atom	x (Å)	y (Å)	z (Å)
H1	-0.639	-0.649	0.000
N2	-0.000	-1.452	0.000
N3	-0.000	1.452	0.000
H4	-0.120	-2.023	0.839
H5	-0.120	-2.023	-0.839
H6	0.638	0.649	0.000
H7	0.120	2.023	-0.839
H8	0.120	2.023	0.839

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0257	2.1961	1.6916	1.6916	1.8214	2.9024	2.9024
N2	1.0257		2.9033	1.0224	1.0224	2.1954	3.5768	3.5768
N3	2.1961	2.9033		3.5769	3.5769	1.0257	1.0224	1.0224
H4	1.6916	1.0224	3.5769		1.6783	2.9017	4.3874	4.0537
H5	1.6916	1.0224	3.5769	1.6783		2.9017	4.0537	4.3874
H6	1.8214	2.1954	1.0257	2.9017	2.9017		1.6916	1.6916
H7	2.9024	3.5768	1.0224	4.3874	4.0537	1.6916		1.6783
H8	2.9024	3.5768	1.0224	4.0537	4.3874	1.6916	1.6783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	111.363	H1	N2	H5	111.363
H1	H3	N6	55.415	H1	H3	H7	124.687
H1	H3	H8	124.687	N2	H1	H3	124.539
H4	N2	H5	110.321	N6	H3	H7	111.365
N6	H3	H8	111.365	H7	H3	H8	110.319

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

using model chemistry: B3LYPultrafine/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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Number	Element	Mulliken
1	H	0.288
2	N	-0.799
3	N	-0.799
4	H	0.255
5	H	0.255
6	H	0.288
7	H	0.255
8	H	0.255

	x	y	z	Total
	0.000	-0.002	0.000	0.002
CHELPG
AIM
ESP

	x	y	z
x	1.082	-0.170	0.000
y	-0.170	3.339	0.000
z	0.000	0.000	2.461

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYPultrafine/3-21G

States and conformations

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