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	hartrees
Energy at 0K	-517.401015
Energy at 298.15K
HF Energy	-517.401015
Nuclear repulsion energy	49.382524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3523	3365	1.07
2	A₁	2238	2137	1995.84
3	A₁	1100	1051	140.60
4	A₁	194	186	31.73
5	E	3653	3489	18.41
5	E	3653	3489	18.46
6	E	1665	1591	23.71
6	E	1665	1591	23.76
7	E	789	754	41.14
7	E	789	754	41.13
8	E	227	217	17.02
8	E	227	217	17.04

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.903
Cl2	0.000	0.000	1.191
H3	0.000	0.945	-2.264
H4	0.818	-0.472	-2.264
H5	-0.818	-0.472	-2.264
H6	0.000	0.000	-0.141

	N1	Cl2	H3	H4	H5	H6
N1		3.0949	1.0109	1.0109	1.0109	1.7628
Cl2	3.0949		3.5820	3.5820	3.5820	1.3321
H3	1.0109	3.5820		1.6360	1.6360	2.3237
H4	1.0109	3.5820	1.6360		1.6360	2.3237
H5	1.0109	3.5820	1.6360	1.6360		2.3237
H6	1.7628	1.3321	2.3237	2.3237	2.3237

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.025
H3	N1	H5	108.025	H3	N1	H6	110.882
H4	N1	H5	108.025	H4	N1	H6	110.882
H5	N1	H6	110.882

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

using model chemistry: wB97X-D/Def2TZVPP

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	-0.327
2	Cl	-0.324
3	H	0.139
4	H	0.139
5	H	0.139
6	H	0.233

	x	y	z	Total
	0.000	0.000	-4.696	4.696
CHELPG
AIM
ESP

<r²>	79.030
(<r²>)^1/2	8.890

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

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

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