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	hartrees
Energy at 0K	-517.395923
Energy at 298.15K
HF Energy	-517.395923
Nuclear repulsion energy	49.674938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3423	3328	2.00
2	A₁	2093	2035	2436.22
3	A₁	1153	1121	45.31
4	A₁	238	232	40.39
5	E	3550	3452	11.61
5	E	3550	3452	11.62
6	E	1666	1620	15.11
6	E	1666	1620	15.10
7	E	893	869	50.30
7	E	893	869	50.28
8	E	254	247	17.42
8	E	254	247	17.41

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.859
Cl2	0.000	0.000	1.174
H3	0.000	0.948	-2.249
H4	0.821	-0.474	-2.249
H5	-0.821	-0.474	-2.249
H6	0.000	0.000	-0.195

	N1	Cl2	H3	H4	H5	H6
N1		3.0325	1.0249	1.0249	1.0249	1.6634
Cl2	3.0325		3.5513	3.5513	3.5513	1.3691
H3	1.0249	3.5513		1.6416	1.6416	2.2616
H4	1.0249	3.5513	1.6416		1.6416	2.2616
H5	1.0249	3.5513	1.6416	1.6416		2.2616
H6	1.6634	1.3691	2.2616	2.2616	2.2616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.427
H3	N1	H5	106.427	H3	N1	H6	112.367
H4	N1	H5	106.427	H4	N1	H6	112.367
H5	N1	H6	112.367

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

using model chemistry: TPSSh/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	-0.184
2	Cl	-0.368
3	H	0.116
4	H	0.116
5	H	0.116
6	H	0.205

	x	y	z	Total
	0.000	0.000	-5.489	5.489
CHELPG
AIM
ESP

<r²>	76.726
(<r²>)^1/2	8.759

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

using model chemistry: TPSSh/cc-pVDZ

States and conformations

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