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	hartrees
Energy at 0K	-517.397514
Energy at 298.15K
HF Energy	-517.397514
Nuclear repulsion energy	49.447216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3442	3338	2.12
2	A₁	2143	2079	2197.88
3	A₁	1127	1093	66.32
4	A₁	219	213	35.36
5	E	3565	3459	12.59
5	E	3565	3459	12.59
6	E	1651	1601	16.13
6	E	1651	1601	16.13
7	E	861	835	51.62
7	E	861	835	51.62
8	E	243	236	18.01
8	E	243	236	18.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.876
Cl2	0.000	0.000	1.183
H3	0.000	0.947	-2.263
H4	0.820	-0.474	-2.263
H5	-0.820	-0.474	-2.263
H6	0.000	0.000	-0.179

	N1	Cl2	H3	H4	H5	H6
N1		3.0590	1.0232	1.0232	1.0232	1.6970
Cl2	3.0590		3.5739	3.5739	3.5739	1.3620
H3	1.0232	3.5739		1.6405	1.6405	2.2893
H4	1.0232	3.5739	1.6405		1.6405	2.2893
H5	1.0232	3.5739	1.6405	1.6405		2.2893
H6	1.6970	1.3620	2.2893	2.2893	2.2893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.577
H3	N1	H5	106.577	H3	N1	H6	112.230
H4	N1	H5	106.577	H4	N1	H6	112.230
H5	N1	H6	112.230

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

using model chemistry: B3LYP/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	-0.161
2	Cl	-0.345
3	H	0.107
4	H	0.107
5	H	0.107
6	H	0.186

	x	y	z	Total
	0.000	0.000	-5.348	5.348
CHELPG
AIM
ESP

<r²>	77.758
(<r²>)^1/2	8.818

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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