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	hartrees
Energy at 0K	-517.389516
Energy at 298.15K
HF Energy	-517.389516
Nuclear repulsion energy	50.038332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3493	3348	5.00
2	A₁	2075	1988	2577.57
3	A₁	1138	1091	69.85
4	A₁	230	220	48.87
5	E	3628	3477	20.94
5	E	3628	3477	20.94
6	E	1656	1587	18.41
6	E	1656	1587	18.41
7	E	916	878	54.00
7	E	916	878	53.99
8	E	257	247	17.80
8	E	257	247	17.80

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.843
Cl2	0.000	0.000	1.163
H3	0.000	0.945	-2.226
H4	0.819	-0.473	-2.226
H5	-0.819	-0.473	-2.226
H6	0.000	0.000	-0.203

	N1	Cl2	H3	H4	H5	H6
N1		3.0061	1.0198	1.0198	1.0198	1.6394
Cl2	3.0061		3.5184	3.5184	3.5184	1.3667
H3	1.0198	3.5184		1.6371	1.6371	2.2324
H4	1.0198	3.5184	1.6371		1.6371	2.2324
H5	1.0198	3.5184	1.6371	1.6371		2.2324
H6	1.6394	1.3667	2.2324	2.2324	2.2324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.767
H3	N1	H5	106.767	H3	N1	H6	112.057
H4	N1	H5	106.767	H4	N1	H6	112.057
H5	N1	H6	112.057

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

using model chemistry: mPW1PW91/cc-pVDZ

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	-0.200
2	Cl	-0.376
3	H	0.121
4	H	0.121
5	H	0.121
6	H	0.213

	x	y	z	Total
	0.000	0.000	-5.566	5.566
CHELPG
AIM
ESP

<r²>	75.564
(<r²>)^1/2	8.693

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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