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	hartrees
Energy at 0K	-132.205556
Energy at 298.15K	-132.209810
HF Energy	-132.205556
Counterpoise corrected energy	-132.240623
CP Energy at 298.15K	-132.244824
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	38.536951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4150	3753	82.53
2	A'	3967	3587	316.16
3	A'	3824	3457	5.14
4	A'	3692	3338	3.59
5	A'	1868	1689	94.50
6	A'	1847	1670	34.05
7	A'	1253	1133	204.87
8	A'	425	385	124.70
9	A'	185	167	19.89
10	A'	161	146	46.15
11	A"	3824	3458	6.11
12	A"	1844	1667	25.10
13	A"	673	609	246.16
14	A"	158	143	42.18
15	A"	19	17	85.49

Number	Element	Mulliken
1	H	0.495
2	O	-0.934
3	N	-1.029
4	H	0.416
5	H	0.348
6	H	0.352
7	H	0.352

	x	y	z	Total
	1.332	-3.765	0.000	3.993
CHELPG
AIM
ESP

	x	y	z
x	2.064	0.076	-0.004
y	0.076	2.233	-0.001
z	-0.004	-0.001	1.685

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

using model chemistry: HF/6-31+G**

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>	59.689
(<r²>)^1/2	7.726

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

using model chemistry: HF/6-31+G**

States and conformations

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