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	hartrees
Energy at 0K	-517.153824
Energy at 298.15K
HF Energy	-517.044113
Nuclear repulsion energy	49.455329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3513	3346	0.54
2	A₁	2271	2163	2003.22
3	A₁	1156	1101	155.43
4	A₁	194	185	32.46
5	E	3656	3482	19.56
5	E	3656	3482	19.56
6	E	1685	1605	31.35
6	E	1685	1605	31.35
7	E	840	800	71.75
7	E	840	800	71.75
8	E	274	261	17.18
8	E	274	261	17.18

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.894
Cl2	0.000	0.000	1.187
H3	0.000	0.947	-2.260
H4	0.820	-0.473	-2.260
H5	-0.820	-0.473	-2.260
H6	0.000	0.000	-0.147

	N1	Cl2	H3	H4	H5	H6
N1		3.0810	1.0150	1.0150	1.0150	1.7472
Cl2	3.0810		3.5748	3.5748	3.5748	1.3338
H3	1.0150	3.5748		1.6397	1.6397	2.3158
H4	1.0150	3.5748	1.6397		1.6397	2.3158
H5	1.0150	3.5748	1.6397	1.6397		2.3158
H6	1.7472	1.3338	2.3158	2.3158	2.3158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.743
H3	N1	H5	107.743	H3	N1	H6	111.149
H4	N1	H5	107.743	H4	N1	H6	111.149
H5	N1	H6	111.149

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

using model chemistry: B2PLYP/6-31+G**

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	-0.913
2	Cl	-0.278
3	H	0.323
4	H	0.323
5	H	0.323
6	H	0.222

	x	y	z	Total
	0.000	0.000	-4.979	4.979
CHELPG
AIM
ESP

<r²>	78.991
(<r²>)^1/2	8.888

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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