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	hartrees
Energy at 0K	-517.413943
Energy at 298.15K
HF Energy	-517.413943
Nuclear repulsion energy	49.730121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3459	3356	0.41
2	A₁	1983	1924	2526.58
3	A₁	1116	1083	97.42
4	A₁	204	198	52.83
5	E	3589	3482	18.85
5	E	3589	3482	18.85
6	E	1630	1582	22.25
6	E	1630	1582	22.25
7	E	878	852	27.23
7	E	878	852	27.23
8	E	264	256	13.69
8	E	264	256	13.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.864
Cl2	0.000	0.000	1.174
H3	0.000	0.948	-2.235
H4	0.821	-0.474	-2.235
H5	-0.821	-0.474	-2.235
H6	0.000	0.000	-0.196

	N1	Cl2	H3	H4	H5	H6
N1		3.0381	1.0182	1.0182	1.0182	1.6686
Cl2	3.0381		3.5384	3.5384	3.5384	1.3695
H3	1.0182	3.5384		1.6425	1.6425	2.2491
H4	1.0182	3.5384	1.6425		1.6425	2.2491
H5	1.0182	3.5384	1.6425	1.6425		2.2491
H6	1.6686	1.3695	2.2491	2.2491	2.2491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.520
H3	N1	H5	107.520	H3	N1	H6	111.358
H4	N1	H5	107.520	H4	N1	H6	111.358
H5	N1	H6	111.358

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

using model chemistry: B3LYPultrafine/aug-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	0.045
2	Cl	-0.244
3	H	-0.021
4	H	-0.021
5	H	-0.021
6	H	0.263

	x	y	z	Total
	0.000	0.000	-5.020	5.020
CHELPG
AIM
ESP

<r²>	77.289
(<r²>)^1/2	8.791

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

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

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