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	hartrees
Energy at 0K	-113.179174
Energy at 298.15K	-113.184313
Counterpoise corrected energy	-113.179030
CP Energy at 298.15K	-113.184141
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	39.484798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3592	3484	8.23
2	A	3554	3447	58.74
3	A	3474	3369	2.46
4	A	3430	3327	93.60
5	A	1667	1617	15.66
6	A	1658	1608	15.35
7	A	1059	1027	103.37
8	A	1050	1018	184.31
9	A	373	362	48.69
10	A	129	125	23.90
11	A	92	89	56.98
12	A	3594	3486	7.28
13	A	3591	3483	1.75
14	A	1689	1638	10.80
15	A	1664	1614	19.05
16	A	251	244	39.54
17	A	118	115	37.22
18	A	36	35	13.52

Atom	x (Å)	y (Å)	z (Å)
H1	0.153	0.717	0.000
N2	-0.033	1.718	0.000
N3	-0.033	-1.594	0.000
H4	0.421	2.115	0.814
H5	0.421	2.115	-0.814
H6	-1.047	-1.573	0.000
H7	0.257	-2.121	-0.816
H8	0.257	-2.121	0.816

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0180	2.3193	1.6396	1.6396	2.5854	2.9547	2.9547
N2	1.0180		3.3127	1.0132	1.0132	3.4436	3.9353	3.9353
N3	2.3193	3.3127		3.8248	3.8248	1.0137	1.0133	1.0133
H4	1.6396	1.0132	3.8248		1.6285	4.0518	4.5414	4.2387
H5	1.6396	1.0132	3.8248	1.6285		4.0518	4.2387	4.5414
H6	2.5854	3.4436	1.0137	4.0518	4.0518		1.6328	1.6328
H7	2.9547	3.9353	1.0133	4.5414	4.2387	1.6328		1.6318
H8	2.9547	3.9353	1.0133	4.2387	4.5414	1.6328	1.6318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	107.637	H1	N2	H5	107.637
H1	H3	N6	93.381	H1	H3	H7	119.636
H1	H3	H8	119.636	N2	H1	H3	164.864
H4	N2	H5	106.952	N6	H3	H7	107.319
N6	H3	H8	107.319	H7	H3	H8	107.251

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

using model chemistry: B3LYPultrafine/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
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Number	Element	Mulliken
1	H	0.220
2	N	-0.425
3	N	-0.358
4	H	0.104
5	H	0.104
6	H	0.130
7	H	0.112
8	H	0.112

	x	y	z	Total
	0.893	-2.188	0.000	2.363
CHELPG
AIM
ESP

	x	y	z
x	3.978	0.102	0.000
y	0.102	4.634	0.000
z	0.000	0.000	3.630

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYPultrafine/6-311+G(3df,2pd)

States and conformations

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