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	hartrees
Energy at 0K	-132.898308
Energy at 298.15K
HF Energy	-132.898308
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3722	3649	25.06
2	A'	3522	3453	1.27
3	A'	3398	3331	481.24
4	A'	3381	3315	31.50
5	A'	1742	1708	55.20
6	A'	1698	1665	29.48
7	A'	1141	1119	117.89
8	A'	456	447	103.37
9	A'	218	213	6.47
10	A'	157	153	49.47
11	A"	3523	3454	1.70
12	A"	1694	1661	18.23
13	A"	712	698	180.78
14	A"	129	127	38.58
15	A"	53i	52i	64.69

Atom	x (Å)	y (Å)	z (Å)
H1	0.006	0.566	0.000
O2	-0.038	1.554	0.000
N3	-0.038	-1.365	0.000
H4	0.898	1.812	0.000
H5	0.819	-1.921	0.000
H6	-0.575	-1.664	0.817
H7	-0.575	-1.664	-0.817

	H1	O2	N3	H4	H5	H6	H7
H1		0.9889	1.9317	1.5327	2.6167	2.4447	2.4447
O2	0.9889		2.9191	0.9714	3.5793	3.3628	3.3628
N3	1.9317	2.9191		3.3128	1.0222	1.0222	1.0222
H4	1.5327	0.9714	3.3128		3.7345	3.8627	3.8627
H5	2.6167	3.5793	1.0222	3.7345		1.6364	1.6364
H6	2.4447	3.3628	1.0222	3.8627	1.6364		1.6347
H7	2.4447	3.3628	1.0222	3.8627	1.6364	1.6347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	103.783	H1	N3	H5	122.653
H1	N3	H6	105.907	H1	N3	H7	105.907
O2	H1	N3	175.996	H5	N3	H6	107.235
H5	N3	H7	107.235	H6	N3	H7	107.046

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

using model chemistry: B97D3/6-31G*

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	0.426
2	O	-0.835
3	N	-0.901
4	H	0.354
5	H	0.315
6	H	0.320
7	H	0.320

	x	y	z	Total
	1.228	-4.062	0.000	4.243
CHELPG
AIM
ESP

	x	y	z
x	2.280	0.136	0.000
y	0.136	2.755	0.000
z	0.000	0.000	1.782

<r²>	56.312
(<r²>)^1/2	7.504

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

using model chemistry: B97D3/6-31G*

States and conformations

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