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	hartrees
Energy at 0K	-517.413038
Energy at 298.15K
HF Energy	-517.413038
Nuclear repulsion energy	50.082935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3415	3366	1.39
2	A₁	1843	1817	2701.37
3	A₁	1117	1101	65.54
4	A₁	227	224	59.74
5	E	3545	3495	12.64
5	E	3545	3495	12.64
6	E	1645	1622	24.44
6	E	1645	1622	24.44
7	E	935	922	51.26
7	E	935	922	51.26
8	E	278	274	14.86
8	E	278	274	14.85

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.843
Cl2	0.000	0.000	1.161
H3	0.000	0.951	-2.207
H4	0.823	-0.475	-2.207
H5	-0.823	-0.475	-2.207
H6	0.000	0.000	-0.215

	N1	Cl2	H3	H4	H5	H6
N1		3.0041	1.0181	1.0181	1.0181	1.6277
Cl2	3.0041		3.4998	3.4998	3.4998	1.3765
H3	1.0181	3.4998		1.6468	1.6468	2.2070
H4	1.0181	3.4998	1.6468		1.6468	2.2070
H5	1.0181	3.4998	1.6468	1.6468		2.2070
H6	1.6277	1.3765	2.2070	2.2070	2.2070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.951
H3	N1	H5	107.951	H3	N1	H6	110.952
H4	N1	H5	107.951	H4	N1	H6	110.951
H5	N1	H6	110.951

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

using model chemistry: B97D3/6-311G**

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	-0.541
2	Cl	-0.381
3	H	0.234
4	H	0.234
5	H	0.234
6	H	0.220

	x	y	z	Total
	0.000	0.000	-5.720	5.720
CHELPG
AIM
ESP

<r²>	75.742
(<r²>)^1/2	8.703

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

using model chemistry: B97D3/6-311G**

States and conformations

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