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	hartrees
Energy at 0K	-113.181627
Energy at 298.15K	-113.186754
Nuclear repulsion energy	11.939174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3586	3478	7.67
2	A	3548	3442	58.46
3	A	3469	3365	2.67
4	A	3427	3324	92.88
5	A	1668	1618	13.27
6	A	1658	1609	13.65
7	A	1058	1026	91.03
8	A	1050	1018	177.55
9	A	370	359	45.05
10	A	127	123	21.73
11	A	89	86	58.83
12	A	3588	3480	6.58
13	A	3584	3476	1.53
14	A	1688	1637	8.04
15	A	1665	1615	16.66
16	A	247	240	37.77
17	A	116	113	35.18
18	A	36	35	12.46

Atom	x (Å)	y (Å)	z (Å)
H1	0.160	0.719	0.000
N2	-0.033	1.718	0.000
N3	-0.033	-1.595	0.000
H4	0.419	2.118	0.814
H5	0.419	2.118	-0.814
H6	-1.046	-1.564	0.000
H7	0.252	-2.125	-0.816
H8	0.252	-2.125	0.816

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0178	2.3222	1.6389	1.6389	2.5824	2.9596	2.9596
N2	1.0178		3.3134	1.0132	1.0132	3.4354	3.9387	3.9387
N3	2.3222	3.3134		3.8278	3.8278	1.0136	1.0132	1.0132
H4	1.6389	1.0132	3.8278		1.6279	4.0456	4.5475	4.2455
H5	1.6389	1.0132	3.8278	1.6279		4.0456	4.2455	4.5475
H6	2.5824	3.4354	1.0136	4.0456	4.0456		1.6321	1.6321
H7	2.9596	3.9387	1.0132	4.5475	4.2455	1.6321		1.6314
H8	2.9596	3.9387	1.0132	4.2455	4.5475	1.6321	1.6314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	107.600	H1	N2	H5	107.600
H1	H3	N6	93.029	H1	H3	H7	119.814
H1	H3	H8	119.814	N2	H1	H3	164.284
H4	N2	H5	106.909	N6	H3	H7	107.272
N6	H3	H8	107.272	H7	H3	H8	107.226

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

using model chemistry: B3LYPultrafine_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
	0.856	-2.153	0.000	2.317
CHELPG
AIM
ESP

	x	y	z
x	2.110	0.096	0.000
y	0.096	2.297	0.000
z	0.000	0.000	2.069

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYPultrafine_cp_opt/aug-cc-pVTZ

States and conformations

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