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	hartrees
Energy at 0K	-517.167162
Energy at 298.15K
HF Energy	-517.167162
Nuclear repulsion energy	50.366137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3519	3370	5.48
2	A₁	1992	1907	2695.73
3	A₁	1133	1085	82.52
4	A₁	230	220	57.19
5	E	3657	3502	24.61
5	E	3657	3502	24.60
6	E	1664	1594	23.80
6	E	1664	1594	23.80
7	E	931	892	50.59
7	E	931	892	50.59
8	E	269	257	14.13
8	E	269	257	14.13

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.833
Cl2	0.000	0.000	1.155
H3	0.000	0.946	-2.197
H4	0.819	-0.473	-2.197
H5	-0.819	-0.473	-2.197
H6	0.000	0.000	-0.208

	N1	Cl2	H3	H4	H5	H6
N1		2.9871	1.0136	1.0136	1.0136	1.6241
Cl2	2.9871		3.4823	3.4823	3.4823	1.3630
H3	1.0136	3.4823		1.6383	1.6383	2.2019
H4	1.0136	3.4823	1.6383		1.6383	2.2019
H5	1.0136	3.4823	1.6383	1.6383		2.2019
H6	1.6241	1.3630	2.2019	2.2019	2.2019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.833
H3	N1	H5	107.833	H3	N1	H6	111.064
H4	N1	H5	107.833	H4	N1	H6	111.064
H5	N1	H6	111.064

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	-0.759
2	Cl	-0.467
3	H	0.293
4	H	0.293
5	H	0.293
6	H	0.348

	x	y	z	Total
	0.000	0.000	-5.452	5.452
CHELPG
AIM
ESP

<r²>	74.672
(<r²>)^1/2	8.641

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

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