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	hartrees
Energy at 0K	-517.432478
Energy at 298.15K
HF Energy	-517.432478
Nuclear repulsion energy	49.669341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3458	3458	0.43
2	A₁	2123	2123	2264.68
3	A₁	1130	1130	88.70
4	A₁	211	211	38.84
5	E	3581	3581	12.88
5	E	3581	3581	12.88
6	E	1672	1672	20.99
6	E	1672	1672	20.98
7	E	850	850	33.53
7	E	850	850	33.54
8	E	252	252	16.61
8	E	252	252	16.60

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.876
Cl2	0.000	0.000	1.179
H3	0.000	0.946	-2.244
H4	0.819	-0.473	-2.244
H5	-0.819	-0.473	-2.244
H6	0.000	0.000	-0.170

	N1	Cl2	H3	H4	H5	H6
N1		3.0545	1.0152	1.0152	1.0152	1.7059
Cl2	3.0545		3.5510	3.5510	3.5510	1.3486
H3	1.0152	3.5510		1.6388	1.6388	2.2797
H4	1.0152	3.5510	1.6388		1.6388	2.2797
H5	1.0152	3.5510	1.6388	1.6388		2.2797
H6	1.7059	1.3486	2.2797	2.2797	2.2797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.626
H3	N1	H5	107.626	H3	N1	H6	111.259
H4	N1	H5	107.626	H4	N1	H6	111.259
H5	N1	H6	111.259

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

using model chemistry: TPSSh/Def2TZVPP

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	-0.393
2	Cl	-0.356
3	H	0.169
4	H	0.169
5	H	0.169
6	H	0.242

	x	y	z	Total
	0.000	0.000	-4.917	4.917
CHELPG
AIM
ESP

<r²>	77.555
(<r²>)^1/2	8.807

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

using model chemistry: TPSSh/Def2TZVPP

States and conformations

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