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	hartrees
Energy at 0K	-72.116805
Energy at 298.15K
HF Energy	-72.116805
Nuclear repulsion energy	30.137997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3461	3327	8.55
2	A₁	1253	1204	113.26
3	A₁	997	958	3508.72
4	A₁	411	395	39.93
5	E	3627	3486	36.02
5	E	3627	3486	36.01
6	E	1696	1630	47.31
6	E	1696	1630	47.31
7	E	1330	1278	100.77
7	E	1330	1278	100.77
8	E	353	339	9.48
8	E	353	339	9.48

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.763
Cl2	0.000	0.000	1.119
H3	0.000	0.971	-2.081
H4	0.841	-0.486	-2.081
H5	-0.841	-0.486	-2.081
H6	0.000	0.000	-0.432

	N1	Cl2	H3	H4	H5	H6
N1		2.8818	1.0221	1.0221	1.0221	1.3306
Cl2	2.8818		3.3443	3.3443	3.3443	1.5512
H3	1.0221	3.3443		1.6823	1.6823	1.9137
H4	1.0221	3.3443	1.6823		1.6823	1.9137
H5	1.0221	3.3443	1.6823	1.6823		1.9137
H6	1.3306	1.5512	1.9137	1.9137	1.9137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	110.763
H3	N1	H5	110.763	H3	N1	H6	108.147
H4	N1	H5	110.763	H4	N1	H6	108.147
H5	N1	H6	108.147

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

using model chemistry: B3LYP/LANL2DZ

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	-0.819
2	Cl	-0.475
3	H	0.357
4	H	0.357
5	H	0.357
6	H	0.224

	x	y	z	Total
	0.000	0.000	-7.761	7.761
CHELPG
AIM
ESP

<r²>	57.409
(<r²>)^1/2	7.577

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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