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	hartrees
Energy at 0K	-56.513645
Energy at 298.15K	-56.516315
HF Energy	-56.513645
Nuclear repulsion energy	11.928209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3490	3313	0.18	112.92	0.07	0.13
2	A₁	1131	1074	170.67	12.10	0.16	0.27
3	E	3631	3447	0.01	53.21	0.75	0.86
3	E	3631	3447	0.01	53.21	0.75	0.86
4	E	1731	1644	17.67	12.57	0.75	0.86
4	E	1731	1644	17.67	12.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.118
H2	0.000	0.936	-0.275
H3	0.810	-0.468	-0.275
H4	-0.810	-0.468	-0.275

	N1	H2	H3	H4
N1		1.0150	1.0150	1.0150
H2	1.0150		1.6207	1.6207
H3	1.0150	1.6207		1.6207
H4	1.0150	1.6207	1.6207

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	H3	105.949		H2	N1	H4	105.949
H3	N1	H4	105.949

All results from a given calculation for NH₃ (Ammonia)

using model chemistry: B1B95/6-31G*

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	N	-0.924
2	H	0.308
3	H	0.308
4	H	0.308

	x	y	z	Total
	0.000	0.000	-1.926	1.926
CHELPG
AIM
ESP

<r²>	7.314
(<r²>)^1/2	2.704

All results from a given calculation for NH3 (Ammonia)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for NH₃ (Ammonia)