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	hartrees
Energy at 0K	-517.399496
Energy at 298.15K
HF Energy	-517.399496
Nuclear repulsion energy	49.424382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3524	3524	0.28
2	A₁	2230	2230	2077.11
3	A₁	1098	1098	146.72
4	A₁	186	186	34.59
5	E	3651	3651	19.46
5	E	3651	3651	19.51
6	E	1663	1663	24.61
6	E	1663	1663	24.62
7	E	795	795	32.56
7	E	795	795	32.55
8	E	233	233	15.20
8	E	233	233	15.20

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.900
Cl2	0.000	0.000	1.190
H3	0.000	0.945	-2.261
H4	0.819	-0.473	-2.261
H5	-0.819	-0.473	-2.261
H6	0.000	0.000	-0.142

	N1	Cl2	H3	H4	H5	H6
N1		3.0896	1.0118	1.0118	1.0118	1.7577
Cl2	3.0896		3.5776	3.5776	3.5776	1.3320
H3	1.0118	3.5776		1.6372	1.6372	2.3198
H4	1.0118	3.5776	1.6372		1.6372	2.3198
H5	1.0118	3.5776	1.6372	1.6372		2.3198
H6	1.7577	1.3320	2.3198	2.3198	2.3198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.009
H3	N1	H5	108.009	H3	N1	H6	110.897
H4	N1	H5	108.009	H4	N1	H6	110.897
H5	N1	H6	110.897

All results from a given calculation for NH₄Cl (Ammonium chloride)

using model chemistry: wB97X-D/6-311+G(3df,2p)

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	-0.555
2	Cl	-0.427
3	H	0.198
4	H	0.198
5	H	0.198
6	H	0.389

	x	y	z	Total
	0.000	0.000	-4.576	4.576
CHELPG
AIM
ESP

<r²>	79.015
(<r²>)^1/2	8.889

All results from a given calculation for NH4Cl (Ammonium chloride)

using model chemistry: wB97X-D/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₄Cl (Ammonium chloride)