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	hartrees
Energy at 0K	-517.210879
Energy at 298.15K
HF Energy	-517.210879
Nuclear repulsion energy	50.315136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3511	3372	4.16
2	A₁	1937	1860	2798.08
3	A₁	1143	1098	103.33
4	A₁	224	215	65.08
5	E	3642	3498	21.20
5	E	3642	3498	21.19
6	E	1668	1602	27.74
6	E	1668	1602	27.73
7	E	959	921	57.22
7	E	959	921	57.23
8	E	291	279	15.88
8	E	291	279	15.88

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.835
Cl2	0.000	0.000	1.156
H3	0.000	0.947	-2.196
H4	0.820	-0.474	-2.196
H5	-0.820	-0.474	-2.196
H6	0.000	0.000	-0.214

	N1	Cl2	H3	H4	H5	H6
N1		2.9900	1.0138	1.0138	1.0138	1.6203
Cl2	2.9900		3.4827	3.4827	3.4827	1.3697
H3	1.0138	3.4827		1.6406	1.6406	2.1965
H4	1.0138	3.4827	1.6406		1.6406	2.1965
H5	1.0138	3.4827	1.6406	1.6406		2.1965
H6	1.6203	1.3697	2.1965	2.1965	2.1965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.023
H3	N1	H5	108.023	H3	N1	H6	110.884
H4	N1	H5	108.023	H4	N1	H6	110.884
H5	N1	H6	110.884

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

using model chemistry: HSEh1PBE/6-311G**

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	-0.571
2	Cl	-0.384
3	H	0.240
4	H	0.240
5	H	0.240
6	H	0.236

	x	y	z	Total
	0.000	0.000	-5.707	5.707
CHELPG
AIM
ESP

<r²>	75.167
(<r²>)^1/2	8.670

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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