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	hartrees
Energy at 0K	-132.832424
Energy at 298.15K	-132.825518
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3884	3767
2	A'	3624	3515
3	A'	3594	3486
4	A'	3466	3361
5	A'	1685	1634
6	A'	1670	1620
7	A'	1112	1078
8	A'	443	430
9	A'	197	191
10	A'	166	161
11	A"	3592	3484
12	A"	1671	1621
13	A"	698	677
14	A"	171	166
15	A"	29	28

Atom	x (Å)	y (Å)	z (Å)
H1	0.065	0.591	0.000
O2	-0.038	1.559	0.000
N3	-0.038	-1.384	0.000
H4	0.860	1.901	0.000
H5	0.801	-1.955	0.000
H6	-0.578	-1.661	0.814
H7	-0.578	-1.661	-0.814

	H1	O2	N3	H4	H5	H6	H7
H1		0.9732	1.9783	1.5314	2.6504	2.4797	2.4797
O2	0.9732		2.9433	0.9607	3.6127	3.3647	3.3647
N3	1.9783	2.9433		3.4053	1.0148	1.0151	1.0151
H4	1.5314	0.9607	3.4053		3.8559	3.9261	3.9261
H5	2.6504	3.6127	1.0148	3.8559		1.6283	1.6283
H6	2.4797	3.3647	1.0151	3.9261	1.6283		1.6272
H7	2.4797	3.3647	1.0151	3.9261	1.6283	1.6272

All results from a given calculation for H₂ONH₃ (Water Ammonia Dimer)

using model chemistry: CCSD(T)_cp/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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HF vs MP2 Bad vib. Calc. vs exp. 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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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All results from a given calculation for H2ONH3 (Water Ammonia Dimer)

using model chemistry: CCSD(T)_cp/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂ONH₃ (Water Ammonia Dimer)