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	hartrees
Energy at 0K	-517.446892
Energy at 298.15K
HF Energy	-517.446892
Nuclear repulsion energy	49.504119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3470	3470	0.26
2	A₁	2128	2128	2206.88
3	A₁	1105	1105	119.34
4	A₁	190	190	38.68
5	E	3591	3591	18.87
5	E	3591	3591	18.87
6	E	1659	1659	22.52
6	E	1659	1659	22.52
7	E	826	826	27.14
7	E	826	826	27.14
8	E	250	250	13.27
8	E	250	250	13.27

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.890
Cl2	0.000	0.000	1.185
H3	0.000	0.947	-2.251
H4	0.820	-0.473	-2.251
H5	-0.820	-0.473	-2.251
H6	0.000	0.000	-0.162

	N1	Cl2	H3	H4	H5	H6
N1		3.0748	1.0133	1.0133	1.0133	1.7281
Cl2	3.0748		3.5638	3.5638	3.5638	1.3467
H3	1.0133	3.5638		1.6399	1.6399	2.2936
H4	1.0133	3.5638	1.6399		1.6399	2.2936
H5	1.0133	3.5638	1.6399	1.6399		2.2936
H6	1.7281	1.3467	2.2936	2.2936	2.2936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.036
H3	N1	H5	108.036	H3	N1	H6	110.871
H4	N1	H5	108.036	H4	N1	H6	110.871
H5	N1	H6	110.871

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

using model chemistry: B3LYP/daug-cc-pVTZ

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	-0.163
2	Cl	-0.722
3	H	0.141
4	H	0.141
5	H	0.141
6	H	0.461

	x	y	z	Total
	0.000	0.000	-4.697	4.697
CHELPG
AIM
ESP

<r²>	78.592
(<r²>)^1/2	8.865

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

using model chemistry: B3LYP/daug-cc-pVTZ

States and conformations

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