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	hartrees
Energy at 0K	-56.220806
Energy at 298.15K	-56.225666
HF Energy	-56.220806
Nuclear repulsion energy	12.107340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3809	3466	9.90
2	A'	3799	3457	45.29
3	A'	3687	3355	1.11
4	A'	3678	3347	20.59
5	A'	1791	1630	11.83
6	A'	1783	1623	21.28
7	A'	1126	1025	102.19
8	A'	1119	1018	250.07
9	A'	327	297	38.12
10	A'	99	91	20.14
11	A'	53	48	80.45
12	A"	3812	3469	8.17
13	A"	3810	3467	3.20
14	A"	1805	1642	15.65
15	A"	1788	1627	16.04
16	A"	206	188	58.00
17	A"	90	82	36.32
18	A"	24	22	8.76

Atom	x (Å)	y (Å)	z (Å)
H1	0.206	0.832	0.000
N2	-0.026	1.805	0.000
N3	-0.026	-1.699	0.000
H4	0.385	2.226	0.807
H5	0.385	2.226	-0.807
H6	-1.013	-1.545	0.000
H7	0.202	-2.240	-0.808
H8	0.202	-2.240	0.808

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0003	2.5424	1.6200	1.6200	2.6721	3.1772	3.1772
N2	1.0003		3.5046	0.9986	0.9986	3.4927	4.1318	4.1318
N3	2.5424	3.5046		4.0281	4.0281	0.9992	0.9987	0.9987
H4	1.6200	0.9986	4.0281		1.6138	4.1019	4.7526	4.4698
H5	1.6200	0.9986	4.0281	1.6138		4.1019	4.4698	4.7526
H6	2.6721	3.4927	0.9992	4.1019	4.1019		1.6165	1.6165
H7	3.1772	4.1318	0.9987	4.7526	4.4698	1.6165		1.6158
H8	3.1772	4.1318	0.9987	4.4698	4.7526	1.6165	1.6158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	108.273	H1	N2	H5	108.273
H1	H3	N6	86.367	H1	H3	H7	121.238
H1	H3	H8	121.238	N2	H1	H3	161.295
H4	N2	H5	107.805	N6	H3	H7	108.016
N6	H3	H8	108.016	H7	H3	H8	107.981

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

using model chemistry: HF_cp_opt/aug-cc-pVTZ

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
	-0.770	-1.346	0.000	1.551
CHELPG
AIM
ESP

	x	y	z
x	1.867	0.039	0.000
y	0.039	1.911	0.000
z	0.000	0.000	1.844

<r²>	38.529
(<r²>)^1/2	6.207

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

using model chemistry: HF_cp_opt/aug-cc-pVTZ

States and conformations

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