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	hartrees
Energy at 0K	-517.164033
Energy at 298.15K
HF Energy	-517.164033
Nuclear repulsion energy	50.214773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3394	3394	0.24
2	A₁	1788	1788	2829.09
3	A₁	1090	1090	62.82
4	A₁	228	228	67.83
5	E	3519	3519	22.12
5	E	3519	3519	22.12
6	E	1609	1609	23.09
6	E	1609	1609	23.08
7	E	933	933	20.45
7	E	933	933	20.45
8	E	269	269	10.91
8	E	269	269	10.90

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.830
Cl2	0.000	0.000	1.155
H3	0.000	0.954	-2.196
H4	0.826	-0.477	-2.196
H5	-0.826	-0.477	-2.196
H6	0.000	0.000	-0.234

	N1	Cl2	H3	H4	H5	H6
N1		2.9849	1.0212	1.0212	1.0212	1.5964
Cl2	2.9849		3.4833	3.4833	3.4833	1.3885
H3	1.0212	3.4833		1.6517	1.6517	2.1812
H4	1.0212	3.4833	1.6517		1.6517	2.1812
H5	1.0212	3.4833	1.6517	1.6517		2.1812
H6	1.5964	1.3885	2.1812	2.1812	2.1812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.938
H3	N1	H5	107.938	H3	N1	H6	110.964
H4	N1	H5	107.938	H4	N1	H6	110.964
H5	N1	H6	110.964

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

using model chemistry: PBEPBE/daug-cc-pVTZ

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	-0.049
2	Cl	-0.754
3	H	0.123
4	H	0.123
5	H	0.123
6	H	0.436

	x	y	z	Total
	0.000	0.000	-5.280	5.280
CHELPG
AIM
ESP

<r²>	75.168
(<r²>)^1/2	8.670

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

using model chemistry: PBEPBE/daug-cc-pVTZ

States and conformations

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