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	hartrees
Energy at 0K	-517.371308
Energy at 298.15K
HF Energy	-517.371308
Nuclear repulsion energy	50.069642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3422	3363	0.33
2	A₁	1883	1851	2627.11
3	A₁	1120	1101	96.56
4	A₁	226	222	56.06
5	E	3568	3506	19.90
5	E	3568	3506	19.90
6	E	1646	1618	30.56
6	E	1646	1618	30.56
7	E	932	916	59.66
7	E	932	916	59.66
8	E	283	278	14.12
8	E	283	278	14.11

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.844
Cl2	0.000	0.000	1.161
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	-0.211

	N1	Cl2	H3	H4	H5	H6
N1		3.0055	1.0194	1.0194	1.0194	1.6338
Cl2	3.0055		3.4998	3.4998	3.4998	1.3717
H3	1.0194	3.4998		1.6506	1.6506	2.2116
H4	1.0194	3.4998	1.6506		1.6506	2.2116
H5	1.0194	3.4998	1.6506	1.6506		2.2116
H6	1.6338	1.3717	2.2116	2.2116	2.2116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.109
H3	N1	H5	108.109	H3	N1	H6	110.802
H4	N1	H5	108.109	H4	N1	H6	110.802
H5	N1	H6	110.802

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

using model chemistry: B97D3/6-31+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	-0.900
2	Cl	-0.312
3	H	0.334
4	H	0.334
5	H	0.334
6	H	0.210

	x	y	z	Total
	0.000	0.000	-5.507	5.507
CHELPG
AIM
ESP

	x	y	z
x	3.051	0.000	0.000
y	0.000	3.051	-0.000
z	0.000	-0.000	6.084

<r²>	75.880
(<r²>)^1/2	8.711

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

using model chemistry: B97D3/6-31+G**

States and conformations

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