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	hartrees
Energy at 0K	-517.170489
Energy at 298.15K
HF Energy	-517.170489
Nuclear repulsion energy	50.282618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3523	3363	2.26
2	A₁	1980	1891	2669.44
3	A₁	1145	1093	140.69
4	A₁	221	211	59.81
5	E	3670	3504	29.39
5	E	3670	3504	29.38
6	E	1671	1595	34.05
6	E	1671	1595	34.05
7	E	951	908	65.54
7	E	951	908	65.54
8	E	298	284	15.60
8	E	298	284	15.60

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.838
Cl2	0.000	0.000	1.157
H3	0.000	0.949	-2.196
H4	0.822	-0.475	-2.196
H5	-0.822	-0.475	-2.196
H6	0.000	0.000	-0.207

	N1	Cl2	H3	H4	H5	H6
N1		2.9945	1.0146	1.0146	1.0146	1.6309
Cl2	2.9945		3.4844	3.4844	3.4844	1.3635
H3	1.0146	3.4844		1.6442	1.6442	2.2040
H4	1.0146	3.4844	1.6442		1.6442	2.2040
H5	1.0146	3.4844	1.6442	1.6442		2.2040
H6	1.6309	1.3635	2.2040	2.2040	2.2040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.248
H3	N1	H5	108.248	H3	N1	H6	110.668
H4	N1	H5	108.248	H4	N1	H6	110.668
H5	N1	H6	110.668

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.929
2	Cl	-0.313
3	H	0.342
4	H	0.342
5	H	0.342
6	H	0.216

	x	y	z	Total
	0.000	0.000	-5.494	5.494
CHELPG
AIM
ESP

<r²>	75.367
(<r²>)^1/2	8.681

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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