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	hartrees
Energy at 0K	-55.872165
Energy at 298.15K	-55.877569
HF Energy	-55.872165
Nuclear repulsion energy	12.019633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3778	3422	2.10
2	A'	3743	3389	42.90
3	A'	3630	3287	0.31
4	A'	3590	3251	80.82
5	A'	1868	1691	15.96
6	A'	1862	1686	24.80
7	A'	991	898	378.97
8	A'	982	889	394.60
9	A'	420	380	67.70
10	A'	152	138	88.97
11	A'	128	115	2.36
12	A"	3780	3423	1.17
13	A"	3773	3417	1.15
14	A"	1898	1718	32.46
15	A"	1864	1688	20.07
16	A"	318	288	69.83
17	A"	154	139	41.41
18	A"	32	29	25.85

Atom	x (Å)	y (Å)	z (Å)
H1	0.025	0.694	0.000
N2	-0.031	1.701	0.000
N3	-0.031	-1.594	0.000
H4	0.369	2.104	0.828
H5	0.369	2.104	-0.828
H6	-1.035	-1.624	0.000
H7	0.350	-2.012	-0.830
H8	0.350	-2.012	0.830

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0086	2.2885	1.6709	1.6709	2.5482	2.8484	2.8484
N2	1.0086		3.2949	1.0040	1.0040	3.4727	3.8231	3.8231
N3	2.2885	3.2949		3.8103	3.8103	1.0047	1.0043	1.0043
H4	1.6709	1.0040	3.8103		1.6566	4.0680	4.4368	4.1152
H5	1.6709	1.0040	3.8103	1.6566		4.0680	4.1152	4.4368
H6	2.5482	3.4727	1.0047	4.0680	4.0680		1.6609	1.6609
H7	2.8484	3.8231	1.0043	4.4368	4.1152	1.6609		1.6605
H8	2.8484	3.8231	1.0043	4.1152	4.4368	1.6609	1.6605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	112.247	H1	N2	H5	112.247
H1	H3	N6	93.075	H1	H3	H7	113.970
H1	H3	H8	113.970	N2	H1	H3	175.437
H4	N2	H5	111.185	N6	H3	H7	111.530
N6	H3	H8	111.530	H7	H3	H8	111.515

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

using model chemistry: HF_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
	1.186	-2.867	0.000	3.103
CHELPG
AIM
ESP

	x	y	z
x	1.042	-0.310	0.000
y	-0.310	0.514	0.000
z	0.000	0.000	1.181

<r²>	69.949
(<r²>)^1/2	8.364

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

using model chemistry: HF_cp_opt/3-21G

States and conformations

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