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	hartrees
Energy at 0K	-56.219551
Energy at 298.15K
HF Energy	-56.219551
Nuclear repulsion energy	12.107281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3815	3456	10.05
2	A'	3803	3446	46.21
3	A'	3692	3345	0.94
4	A'	3681	3335	22.11
5	A'	1790	1622	13.49
6	A'	1783	1615	22.41
7	A'	1128	1022	107.21
8	A'	1121	1015	257.94
9	A'	331	300	41.31
10	A'	102	92	22.01
11	A'	58	52	78.11
12	A"	3817	3459	8.49
13	A"	3815	3457	3.25
14	A"	1805	1636	17.74
15	A"	1788	1620	17.76
16	A"	212	192	59.02
17	A"	94	85	37.31
18	A"	29	26	10.11

Atom	x (Å)	y (Å)	z (Å)
H1	0.198	0.827	0.000
N2	-0.027	1.802	0.000
N3	-0.027	-1.694	0.000
H4	0.388	2.219	0.807
H5	0.388	2.219	-0.807
H6	-1.016	-1.553	0.000
H7	0.208	-2.232	-0.808
H8	0.208	-2.232	0.808

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0006	2.5312	1.6201	1.6201	2.6714	3.1641	3.1641
N2	1.0006		3.4961	0.9986	0.9986	3.4972	4.1209	4.1209
N3	2.5312	3.4961		4.0169	4.0169	0.9992	0.9987	0.9987
H4	1.6201	0.9986	4.0169		1.6137	4.1045	4.7384	4.4548
H5	1.6201	0.9986	4.0169	1.6137		4.1045	4.4548	4.7384
H6	2.6714	3.4972	0.9992	4.1045	4.1045		1.6166	1.6166
H7	3.1641	4.1209	0.9987	4.7384	4.4548	1.6166		1.6158
H8	3.1641	4.1209	0.9987	4.4548	4.7384	1.6166	1.6158

Number	Element	Mulliken
1	H	0.152
2	N	-0.269
3	N	-0.200
4	H	0.060
5	H	0.060
6	H	0.078
7	H	0.059
8	H	0.059

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

using model chemistry: HF_cp/6-311+G(3df,2pd)

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
You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.789	-1.901	0.000	2.058
CHELPG
AIM
ESP

<r²>	77.963
(<r²>)^1/2	8.830

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

using model chemistry: HF_cp/6-311+G(3df,2pd)

States and conformations

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