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	hartrees
Energy at 0K	-517.387767
Energy at 298.15K
HF Energy	-517.387767
Nuclear repulsion energy	49.726176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3482	3352	0.98
2	A₁	2048	1971	2363.56
3	A₁	1135	1093	140.71
4	A₁	205	197	46.20
5	E	3619	3484	21.79
5	E	3619	3484	21.78
6	E	1668	1606	31.93
6	E	1668	1606	31.93
7	E	895	861	66.47
7	E	895	861	66.47
8	E	287	276	15.34
8	E	287	276	15.34

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.871
Cl2	0.000	0.000	1.175
H3	0.000	0.951	-2.231
H4	0.824	-0.476	-2.231
H5	-0.824	-0.476	-2.231
H6	0.000	0.000	-0.182

	N1	Cl2	H3	H4	H5	H6
N1		3.0455	1.0170	1.0170	1.0170	1.6885
Cl2	3.0455		3.5361	3.5361	3.5361	1.3570
H3	1.0170	3.5361		1.6472	1.6472	2.2588
H4	1.0170	3.5361	1.6472		1.6472	2.2588
H5	1.0170	3.5361	1.6472	1.6472		2.2588
H6	1.6885	1.3570	2.2588	2.2588	2.2588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.160
H3	N1	H5	108.160	H3	N1	H6	110.752
H4	N1	H5	108.160	H4	N1	H6	110.752
H5	N1	H6	110.752

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

using model chemistry: B3LYPultrafine/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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Number	Element	Mulliken
1	N	-0.911
2	Cl	-0.296
3	H	0.330
4	H	0.330
5	H	0.330
6	H	0.218

	x	y	z	Total
	0.000	0.000	-5.272	5.272
CHELPG
AIM
ESP

<r²>	77.518
(<r²>)^1/2	8.804

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

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

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