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	hartrees
Energy at 0K	-517.082668
Energy at 298.15K
HF Energy	-517.082668
Nuclear repulsion energy	50.194622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3390	3334	5.05
2	A₁	1693	1665	2660.36
3	A₁	1150	1131	24.40
4	A₁	270	266	59.54
5	E	3530	3472	18.48
5	E	3530	3472	18.48
6	E	1661	1634	26.84
6	E	1661	1634	26.84
7	E	991	975	73.89
7	E	991	975	73.89
8	E	292	287	16.18
8	E	292	287	16.18

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.823
Cl2	0.000	0.000	1.153
H3	0.000	0.957	-2.193
H4	0.829	-0.478	-2.193
H5	-0.829	-0.478	-2.193
H6	0.000	0.000	-0.255

	N1	Cl2	H3	H4	H5	H6
N1		2.9762	1.0257	1.0257	1.0257	1.5687
Cl2	2.9762		3.4795	3.4795	3.4795	1.4075
H3	1.0257	3.4795		1.6575	1.6575	2.1613
H4	1.0257	3.4795	1.6575		1.6575	2.1613
H5	1.0257	3.4795	1.6575	1.6575		2.1613
H6	1.5687	1.4075	2.1613	2.1613	2.1613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.802
H3	N1	H5	107.802	H3	N1	H6	111.093
H4	N1	H5	107.801	H4	N1	H6	111.093
H5	N1	H6	111.093

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

using model chemistry: PBEPBEultrafine/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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Number	Element	Mulliken
1	N	-0.887
2	Cl	-0.389
3	H	0.351
4	H	0.351
5	H	0.351
6	H	0.224

	x	y	z	Total
	0.000	0.000	-6.208	6.208
CHELPG
AIM
ESP

<r²>	74.438
(<r²>)^1/2	8.628

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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