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	hartrees
Energy at 0K	-517.160367
Energy at 298.15K
HF Energy	-517.160367
Nuclear repulsion energy	50.094851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3398	3374	0.81
2	A₁	1873	1860	2613.18
3	A₁	1090	1082	60.04
4	A₁	231	229	54.94
5	E	3525	3500	17.84
5	E	3525	3500	17.84
6	E	1614	1603	22.45
6	E	1614	1603	22.45
7	E	917	911	29.10
7	E	917	911	29.10
8	E	258	257	14.62
8	E	258	257	14.62

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.838
Cl2	0.000	0.000	1.159
H3	0.000	0.953	-2.206
H4	0.825	-0.476	-2.206
H5	-0.825	-0.476	-2.206
H6	0.000	0.000	-0.223

	N1	Cl2	H3	H4	H5	H6
N1		2.9975	1.0211	1.0211	1.0211	1.6156
Cl2	2.9975		3.4972	3.4972	3.4972	1.3819
H3	1.0211	3.4972		1.6501	1.6501	2.1999
H4	1.0211	3.4972	1.6501		1.6501	2.1999
H5	1.0211	3.4972	1.6501	1.6501		2.1999
H6	1.6156	1.3819	2.1999	2.1999	2.1999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.809
H3	N1	H5	107.809	H3	N1	H6	111.087
H4	N1	H5	107.808	H4	N1	H6	111.087
H5	N1	H6	111.087

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

using model chemistry: PBEPBE/cc-pVTZ

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	-0.306
2	Cl	-0.376
3	H	0.161
4	H	0.161
5	H	0.161
6	H	0.198

	x	y	z	Total
	0.000	0.000	-5.400	5.400
CHELPG
AIM
ESP

<r²>	75.405
(<r²>)^1/2	8.684

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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