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	hartrees
Energy at 0K	-56.498146
Energy at 298.15K	-56.495867
Nuclear repulsion energy	11.826293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2413	2391	0.23
2	A₁	808	801	84.88
3	E	2575	2551	0.00
3	E	2575	2551	0.00
4	E	1189	1178	10.67
4	E	1189	1178	10.67

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.121
H2	0.000	0.941	-0.282
H3	0.815	-0.471	-0.282
H4	-0.815	-0.471	-0.282
X5	0.000	0.000	1.121

	N1	H2	H3	H4	X5
N1		1.0240	1.0240	1.0240	1.0000
H2	1.0240		1.6303	1.6303	1.6896
H3	1.0240	1.6303		1.6303	1.6896
H4	1.0240	1.6303	1.6303		1.6896
X5	1.0000	1.6896	1.6896	1.6896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	N1	H3	105.513	H2	N1	H4	105.513
H2	N1	X5	113.187	H3	N1	H4	105.513
H3	N1	X5	113.187	H4	N1	X5	113.187

All results from a given calculation for ND₃ (Ammonia-d3)

using model chemistry: PBEPBE/6-311G**

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	N	-0.569
2	H	0.190
3	H	0.190
4	H	0.190

	x	y	z	Total
	0.000	0.000	-1.736	1.736
CHELPG
AIM
ESP

<r²>	7.461
(<r²>)^1/2	2.732

All results from a given calculation for ND3 (Ammonia-d3)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for ND₃ (Ammonia-d3)