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	hartrees
Energy at 0K	-130.430721
Energy at 298.15K	-130.435098
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	38.686718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4369	3567	71.48
2	A'	4124	3367	138.56
3	A'	4121	3365	8.37
4	A'	3851	3144	2.73
5	A'	2206	1801	14.48
6	A'	2058	1680	4.31
7	A'	1436	1172	102.59
8	A'	452	369	86.43
9	A'	233	190	6.71
10	A'	220	179	34.25
11	A"	4122	3366	0.44
12	A"	2056	1679	3.12
13	A"	690	563	162.13
14	A"	232	189	30.27
15	A"	14	11	39.56

Number	Element	Mulliken
1	H	0.205
2	O	-0.381
3	N	-0.450
4	H	0.136
5	H	0.161
6	H	0.164
7	H	0.164

	x	y	z	Total
	0.973	-3.762	0.000	3.885
CHELPG
AIM
ESP

	x	y	z
x	1.372	0.186	0.000
y	0.186	1.069	0.000
z	0.000	0.000	0.818

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

using model chemistry: HF/STO-3G

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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<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/STO-3G

States and conformations

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