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	hartrees
Energy at 0K	-511.326166
Energy at 298.15K
HF Energy	-511.326166
Nuclear repulsion energy	50.776013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3443	3146	0.32
2	A₁	2323	2122	2866.50
3	A₁	1281	1171	3.31
4	A₁	448	409	13.44
5	E	3698	3378	4.42
5	E	3698	3378	4.42
6	E	1795	1640	9.20
6	E	1795	1640	9.20
7	E	1267	1157	96.73
7	E	1267	1157	96.73
8	E	369	337	22.58
8	E	369	337	22.58

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.750
Cl2	0.000	0.000	1.122
H3	0.000	0.978	-2.157
H4	0.847	-0.489	-2.157
H5	-0.847	-0.489	-2.157
H6	0.000	0.000	-0.347

	N1	Cl2	H3	H4	H5	H6
N1		2.8720	1.0593	1.0593	1.0593	1.4031
Cl2	2.8720		3.4220	3.4220	3.4220	1.4689
H3	1.0593	3.4220		1.6939	1.6939	2.0576
H4	1.0593	3.4220	1.6939		1.6939	2.0576
H5	1.0593	3.4220	1.6939	1.6939		2.0576
H6	1.4031	1.4689	2.0576	2.0576	2.0576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.162
H3	N1	H5	106.162	H3	N1	H6	112.607
H4	N1	H5	106.162	H4	N1	H6	112.607
H5	N1	H6	112.607

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

using model chemistry: PBEPBE/STO-3G

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	-0.394
2	Cl	-0.465
3	H	0.225
4	H	0.225
5	H	0.225
6	H	0.184

	x	y	z	Total
	0.000	0.000	-7.455	7.455
CHELPG
AIM
ESP

<r²>	69.710
(<r²>)^1/2	8.349

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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