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	hartrees
Energy at 0K	-517.414518
Energy at 298.15K
HF Energy	-517.414518
Nuclear repulsion energy	49.693225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3456	3456	0.30
2	A₁	2011	2011	2492.93
3	A₁	1119	1119	100.08
4	A₁	203	203	50.71
5	E	3586	3586	18.59
5	E	3586	3586	18.59
6	E	1633	1633	22.39
6	E	1633	1633	22.40
7	E	875	875	27.20
7	E	875	875	27.20
8	E	257	257	13.04
8	E	257	257	13.04

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.867
Cl2	0.000	0.000	1.175
H3	0.000	0.948	-2.238
H4	0.821	-0.474	-2.238
H5	-0.821	-0.474	-2.238
H6	0.000	0.000	-0.192

	N1	Cl2	H3	H4	H5	H6
N1		3.0423	1.0182	1.0182	1.0182	1.6748
Cl2	3.0423		3.5422	3.5422	3.5422	1.3675
H3	1.0182	3.5422		1.6425	1.6425	2.2546
H4	1.0182	3.5422	1.6425		1.6425	2.2546
H5	1.0182	3.5422	1.6425	1.6425		2.2546
H6	1.6748	1.3675	2.2546	2.2546	2.2546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.528
H3	N1	H5	107.528	H3	N1	H6	111.351
H4	N1	H5	107.528	H4	N1	H6	111.351
H5	N1	H6	111.351

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

using model chemistry: B3LYP/daug-cc-pVDZ

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	-0.775
2	Cl	0.157
3	H	0.147
4	H	0.147
5	H	0.147
6	H	0.178

	x	y	z	Total
	0.000	0.000	-4.986	4.986
CHELPG
AIM
ESP

<r²>	77.455
(<r²>)^1/2	8.801

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

using model chemistry: B3LYP/daug-cc-pVDZ

States and conformations

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