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	hartrees
Energy at 0K	-517.220370
Energy at 298.15K
HF Energy	-517.220370
Nuclear repulsion energy	49.984610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3513	3513	1.71
2	A₁	2102	2102	2357.78
3	A₁	1105	1105	117.82
4	A₁	205	205	44.60
5	E	3645	3645	21.58
5	E	3645	3645	21.57
6	E	1659	1659	24.40
6	E	1659	1659	24.39
7	E	867	867	34.49
7	E	867	867	34.49
8	E	249	249	16.56
8	E	249	249	16.56

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.862
Cl2	0.000	0.000	1.169
H3	0.000	0.945	-2.221
H4	0.819	-0.473	-2.221
H5	-0.819	-0.473	-2.221
H6	0.000	0.000	-0.178

	N1	Cl2	H3	H4	H5	H6
N1		3.0307	1.0115	1.0115	1.0115	1.6834
Cl2	3.0307		3.5198	3.5198	3.5198	1.3472
H3	1.0115	3.5198		1.6374	1.6374	2.2513
H4	1.0115	3.5198	1.6374		1.6374	2.2513
H5	1.0115	3.5198	1.6374	1.6374		2.2513
H6	1.6834	1.3472	2.2513	2.2513	2.2513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.074
H3	N1	H5	108.074	H3	N1	H6	110.835
H4	N1	H5	108.074	H4	N1	H6	110.835
H5	N1	H6	110.835

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

using model chemistry: HSEh1PBE/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	-0.410
2	Cl	-0.357
3	H	0.175
4	H	0.175
5	H	0.175
6	H	0.242

	x	y	z	Total
	0.000	0.000	-4.959	4.959
CHELPG
AIM
ESP

<r²>	76.514
(<r²>)^1/2	8.747

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

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

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