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	hartrees
Energy at 0K	-517.365591
Energy at 298.15K
HF Energy	-517.365591
Nuclear repulsion energy	49.726324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3503	3503	2.70
2	A₁	2238	2238	2274.66
3	A₁	1115	1115	137.48
4	A₁	193	193	40.52
5	E	3631	3631	26.44
5	E	3631	3631	26.27
6	E	1658	1658	23.11
6	E	1658	1658	23.08
7	E	843	843	36.48
7	E	843	843	36.43
8	E	277	277	18.05
8	E	277	277	17.97

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.879
Cl2	0.000	0.000	1.179
H3	0.000	0.945	-2.242
H4	0.818	-0.473	-2.242
H5	-0.818	-0.473	-2.242
H6	0.000	0.000	-0.157

	N1	Cl2	H3	H4	H5	H6
N1		3.0577	1.0123	1.0123	1.0123	1.7219
Cl2	3.0577		3.5487	3.5487	3.5487	1.3358
H3	1.0123	3.5487		1.6369	1.6369	2.2890
H4	1.0123	3.5487	1.6369		1.6369	2.2890
H5	1.0123	3.5487	1.6369	1.6369		2.2890
H6	1.7219	1.3358	2.2890	2.2890	2.2890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.898
H3	N1	H5	107.898	H3	N1	H6	111.002
H4	N1	H5	107.898	H4	N1	H6	111.002
H5	N1	H6	111.002

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

using model chemistry: M06-2X/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	-0.457
2	Cl	-0.335
3	H	0.185
4	H	0.185
5	H	0.185
6	H	0.238

	x	y	z	Total
	0.000	0.000	-4.783	4.783
CHELPG
AIM
ESP

	x	y	z
x	3.188	0.000	0.000
y	0.000	3.187	0.001
z	0.000	0.001	5.453

<r²>	77.691
(<r²>)^1/2	8.814

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

using model chemistry: M06-2X/Def2TZVPP

States and conformations

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