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	hartrees
Energy at 0K	-132.286140
Energy at 298.15K	-132.290300
Counterpoise corrected energy	-132.285793
CP Energy at 298.15K	-132.289936
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	38.321442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4222	3825	111.62
2	A'	4037	3658	338.95
3	A'	3813	3455	11.05
4	A'	3690	3344	0.03
5	A'	1789	1621	4.53
6	A'	1779	1612	88.62
7	A'	1157	1048	192.34
8	A'	407	368	96.70
9	A'	174	157	49.10
10	A'	148	134	4.40
11	A"	3811	3453	12.31
12	A"	1786	1618	21.95
13	A"	634	574	146.31
14	A"	171	155	41.74
15	A"	3	3	80.97

Atom	x (Å)	y (Å)	z (Å)
H1	0.038	0.687	0.000
O2	-0.037	1.631	0.000
N3	-0.037	-1.465	0.000
H4	0.840	1.967	0.000
H5	0.809	-1.996	0.000
H6	-0.564	-1.726	0.808
H7	-0.564	-1.726	-0.808

	H1	O2	N3	H4	H5	H6	H7
H1		0.9473	2.1526	1.5109	2.7914	2.6144	2.6144
O2	0.9473		3.0957	0.9391	3.7243	3.4927	3.4927
N3	2.1526	3.0957		3.5420	0.9990	0.9993	0.9993
H4	1.5109	0.9391	3.5420		3.9632	4.0326	4.0326
H5	2.7914	3.7243	0.9990	3.9632		1.6159	1.6159
H6	2.6144	3.4927	0.9993	4.0326	1.6159		1.6157
H7	2.6144	3.4927	0.9993	4.0326	1.6159	1.6157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	106.449	H1	N3	H5	120.141
H1	N3	H6	106.231	H1	N3	H7	106.231
O2	H1	N3	173.490	H5	N3	H6	107.921
H5	N3	H7	107.921	H6	N3	H7	107.873

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

using model chemistry: HF/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	0.304
2	O	-0.400
3	N	-0.212
4	H	0.116
5	H	0.057
6	H	0.067
7	H	0.067

	x	y	z	Total
	1.303	-3.178	0.000	3.435
CHELPG
AIM
ESP

	x	y	z
x	2.738	0.109	0.000
y	0.109	3.325	0.000
z	0.000	0.000	2.656

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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