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	hartrees
Energy at 0K	-517.132612
Energy at 298.15K
HF Energy	-517.132612
Nuclear repulsion energy	50.328501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3381	3360	0.27
2	A₁	1674	1664	3058.64
3	A₁	1093	1087	34.74
4	A₁	243	242	82.15
5	E	3519	3497	22.09
5	E	3519	3497	22.09
6	E	1581	1571	22.63
6	E	1581	1571	22.63
7	E	973	967	20.30
7	E	973	967	20.30
8	E	277	275	11.45
8	E	277	275	11.45

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.814
Cl2	0.000	0.000	1.149
H3	0.000	0.955	-2.188
H4	0.827	-0.477	-2.188
H5	-0.827	-0.477	-2.188
H6	0.000	0.000	-0.264

	N1	Cl2	H3	H4	H5	H6
N1		2.9627	1.0254	1.0254	1.0254	1.5506
Cl2	2.9627		3.4703	3.4703	3.4703	1.4121
H3	1.0254	3.4703		1.6539	1.6539	2.1482
H4	1.0254	3.4703	1.6539		1.6539	2.1482
H5	1.0254	3.4703	1.6539	1.6539		2.1482
H6	1.5506	1.4121	2.1482	2.1482	2.1482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.504
H3	N1	H5	107.504	H3	N1	H6	111.374
H4	N1	H5	107.504	H4	N1	H6	111.374
H5	N1	H6	111.374

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

using model chemistry: PBEPBEultrafine/aug-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	-0.052
2	Cl	-0.388
3	H	0.018
4	H	0.018
5	H	0.018
6	H	0.386

	x	y	z	Total
	0.000	0.000	-5.591	5.591
CHELPG
AIM
ESP

<r²>	74.442
(<r²>)^1/2	8.628

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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