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	hartrees
Energy at 0K	-517.315134
Energy at 298.15K
HF Energy	-517.315134
Nuclear repulsion energy	51.373085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3520	3520	11.48
2	A₁	1297	1297	223.46
3	A₁	853	853	3999.65
4	A₁	440	440	3.75
5	E	3691	3691	43.02
5	E	3691	3691	43.04
6	E	1714	1714	48.93
6	E	1714	1714	48.98
7	E	1394	1394	112.07
7	E	1394	1394	112.04
8	E	355	355	6.46
8	E	355	355	6.47

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.752
Cl2	0.000	0.000	1.114
H3	0.000	0.968	-2.068
H4	0.839	-0.484	-2.068
H5	-0.839	-0.484	-2.068
H6	0.000	0.000	-0.463

	N1	Cl2	H3	H4	H5	H6
N1		2.8658	1.0185	1.0185	1.0185	1.2887
Cl2	2.8658		3.3254	3.3254	3.3254	1.5771
H3	1.0185	3.3254		1.6773	1.6773	1.8739
H4	1.0185	3.3254	1.6773		1.6773	1.8739
H5	1.0185	3.3254	1.6773	1.6773		1.8739
H6	1.2887	1.5771	1.8739	1.8739	1.8739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	110.857
H3	N1	H5	110.857	H3	N1	H6	108.047
H4	N1	H5	110.857	H4	N1	H6	108.047
H5	N1	H6	108.047

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

using model chemistry: wB97X-D/SDD

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	-0.853
2	Cl	-0.518
3	H	0.374
4	H	0.374
5	H	0.374
6	H	0.247

	x	y	z	Total
	0.000	0.000	-8.186	8.186
CHELPG
AIM
ESP

<r²>	69.707
(<r²>)^1/2	8.349

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

using model chemistry: wB97X-D/SDD

States and conformations

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