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	hartrees
Energy at 0K	-131.470097
Energy at 298.15K	-131.474783
Nuclear repulsion energy	12.006726

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3891	3524	24.83
2	A'	3765	3410	3.06
3	A'	3627	3285	191.19
4	A'	3617	3276	165.83
5	A'	1868	1692	59.84
6	A'	1861	1686	66.66
7	A'	1092	989	389.98
8	A'	532	482	141.08
9	A'	244	221	60.60
10	A'	212	192	2.39
11	A"	3763	3408	4.12
12	A"	1865	1689	26.11
13	A"	832	753	309.06
14	A"	251	227	31.33
15	A"	18	17	112.16

Atom	x (Å)	y (Å)	z (Å)
H1	-0.009	0.576	0.000
O2	-0.039	1.555	0.000
N3	-0.039	-1.398	0.000
H4	0.871	1.879	0.000
H5	0.852	-1.863	0.000
H6	-0.563	-1.625	0.828
H7	-0.563	-1.625	-0.828

	H1	O2	N3	H4	H5	H6	H7
H1		0.9797	1.9740	1.5723	2.5864	2.4162	2.4162
O2	0.9797		2.9530	0.9660	3.5323	3.3281	3.3281
N3	1.9740	2.9530		3.4006	1.0056	1.0059	1.0059
H4	1.5723	0.9660	3.4006		3.7414	3.8757	3.8757
H5	2.5864	3.5323	1.0056	3.7414		1.6570	1.6570
H6	2.4162	3.3281	1.0059	3.8757	1.6570		1.6562
H7	2.4162	3.3281	1.0059	3.8757	1.6570	1.6562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	107.823	H1	N3	H5	116.666
H1	N3	H6	103.536	H1	N3	H7	103.536
O2	H1	N3	177.388	H5	N3	H6	110.926
H5	N3	H7	110.926	H6	N3	H7	110.819

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

using model chemistry: HF_cp_opt/3-21G

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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	x	y	z	Total
	1.527	-4.157	0.000	4.428
CHELPG
AIM
ESP

	x	y	z
x	1.167	-0.127	0.000
y	-0.127	0.394	0.000
z	0.000	0.000	1.186

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF_cp_opt/3-21G

States and conformations

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