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	hartrees
Energy at 0K	-517.126359
Energy at 298.15K
HF Energy	-517.126359
Nuclear repulsion energy	50.336301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3511	3346	8.29
2	A₁	1902	1813	2578.12
3	A₁	1192	1136	81.10
4	A₁	252	240	55.23
5	E	3654	3483	22.85
5	E	3654	3483	22.85
6	E	1711	1631	30.43
6	E	1711	1631	30.43
7	E	969	924	83.30
7	E	969	924	83.30
8	E	300	286	18.05
8	E	300	286	18.05

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.830
Cl2	0.000	0.000	1.154
H3	0.000	0.948	-2.195
H4	0.821	-0.474	-2.195
H5	-0.821	-0.474	-2.195
H6	0.000	0.000	-0.220

	N1	Cl2	H3	H4	H5	H6
N1		2.9835	1.0163	1.0163	1.0163	1.6098
Cl2	2.9835		3.4804	3.4804	3.4804	1.3737
H3	1.0163	3.4804		1.6427	1.6427	2.1909
H4	1.0163	3.4804	1.6427		1.6427	2.1909
H5	1.0163	3.4804	1.6427	1.6427		2.1909
H6	1.6098	1.3737	2.1909	2.1909	2.1909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.838
H3	N1	H5	107.838	H3	N1	H6	111.059
H4	N1	H5	107.838	H4	N1	H6	111.059
H5	N1	H6	111.059

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

using model chemistry: PBE1PBE/6-31G**

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	-0.958
2	Cl	-0.380
3	H	0.364
4	H	0.364
5	H	0.364
6	H	0.246

	x	y	z	Total
	0.000	0.000	-5.891	5.891
CHELPG
AIM
ESP

<r²>	74.619
(<r²>)^1/2	8.638

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

using model chemistry: PBE1PBE/6-31G**

States and conformations

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