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	hartrees
Energy at 0K	-517.397631
Energy at 298.15K
HF Energy	-517.397631
Nuclear repulsion energy	49.302743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3369	3369	0.00
2	A₁	1992	1992	2307.04
3	A₁	1083	1083	83.53
4	A₁	194	194	41.63
5	E	3485	3485	15.10
5	E	3485	3485	15.10
6	E	1622	1622	21.06
6	E	1622	1622	21.05
7	E	830	830	22.60
7	E	830	830	22.60
8	E	250	250	12.02
8	E	250	250	12.02

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.891
Cl2	0.000	0.000	1.187
H3	0.000	0.953	-2.257
H4	0.825	-0.477	-2.257
H5	-0.825	-0.477	-2.257
H6	0.000	0.000	-0.178

	N1	Cl2	H3	H4	H5	H6
N1		3.0778	1.0211	1.0211	1.0211	1.7123
Cl2	3.0778		3.5735	3.5735	3.5735	1.3654
H3	1.0211	3.5735		1.6510	1.6510	2.2867
H4	1.0211	3.5735	1.6510		1.6510	2.2867
H5	1.0211	3.5735	1.6510	1.6510		2.2867
H6	1.7123	1.3654	2.2867	2.2867	2.2867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.880
H3	N1	H5	107.880	H3	N1	H6	111.019
H4	N1	H5	107.880	H4	N1	H6	111.019
H5	N1	H6	111.019

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

using model chemistry: BLYP/daug-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	-0.169
2	Cl	-0.689
3	H	0.144
4	H	0.144
5	H	0.144
6	H	0.425

	x	y	z	Total
	0.000	0.000	-4.819	4.819
CHELPG
AIM
ESP

<r²>	78.954
(<r²>)^1/2	8.886

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

using model chemistry: BLYP/daug-cc-pVTZ

States and conformations

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