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	hartrees
Energy at 0K	-132.930467
Energy at 298.15K	-132.934928
HF Energy	-132.930467
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3906	3704	37.32
2	A'	3652	3464	5.52
3	A'	3610	3424	486.67
4	A'	3512	3331	6.52
5	A'	1772	1681	69.01
6	A'	1725	1636	34.19
7	A'	1154	1095	171.95
8	A'	467	443	112.52
9	A'	229	217	7.16
10	A'	170	162	55.76
11	A"	3652	3464	6.31
12	A"	1723	1635	24.01
13	A"	727	689	202.13
14	A"	161	153	38.23
15	A"	63	60	77.85

Atom	x (Å)	y (Å)	z (Å)
H1	0.006	0.627	0.000
O2	-0.036	1.598	0.000
N3	-0.036	-1.420	0.000
H4	0.884	1.877	0.000
H5	0.809	-1.983	0.000
H6	-0.577	-1.684	0.818
H7	-0.577	-1.684	-0.818

	H1	O2	N3	H4	H5	H6	H7
H1		0.9718	2.0481	1.5271	2.7309	2.5200	2.5200
O2	0.9718		3.0186	0.9612	3.6794	3.4253	3.4253
N3	2.0481	3.0186		3.4235	1.0156	1.0157	1.0157
H4	1.5271	0.9612	3.4235		3.8607	3.9350	3.9350
H5	2.7309	3.6794	1.0156	3.8607		1.6378	1.6378
H6	2.5200	3.4253	1.0157	3.9350	1.6378		1.6364
H7	2.5200	3.4253	1.0157	3.9350	1.6378	1.6364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.378	H1	N3	H5	122.436
H1	N3	H6	105.674	H1	N3	H7	105.674
O2	H1	N3	176.313	H5	N3	H6	107.468
H5	N3	H7	107.468	H6	N3	H7	107.327

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

using model chemistry: wB97X-D/6-31G*

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	0.449
2	O	-0.874
3	N	-0.964
4	H	0.379
5	H	0.333
6	H	0.339
7	H	0.339

	x	y	z	Total
	1.291	-3.987	0.000	4.191
CHELPG
AIM
ESP

	x	y	z
x	2.171	0.110	0.000
y	0.110	2.524	0.000
z	0.000	0.000	1.733

<r²>	55.944
(<r²>)^1/2	7.480

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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