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	hartrees
Energy at 0K	-517.453705
Energy at 298.15K
HF Energy	-517.453705
Nuclear repulsion energy	49.400266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3470	3362	0.52
2	A₁	2157	2090	2085.46
3	A₁	1106	1071	113.62
4	A₁	186	180	34.70
5	E	3590	3478	17.38
5	E	3590	3478	17.38
6	E	1661	1609	23.11
6	E	1661	1609	23.11
7	E	816	790	31.40
7	E	816	790	31.40
8	E	246	238	15.87
8	E	246	238	15.87

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.898
Cl2	0.000	0.000	1.189
H3	0.000	0.946	-2.260
H4	0.819	-0.473	-2.260
H5	-0.819	-0.473	-2.260
H6	0.000	0.000	-0.154

	N1	Cl2	H3	H4	H5	H6
N1		3.0869	1.0126	1.0126	1.0126	1.7441
Cl2	3.0869		3.5766	3.5766	3.5766	1.3428
H3	1.0126	3.5766		1.6377	1.6377	2.3090
H4	1.0126	3.5766	1.6377		1.6377	2.3090
H5	1.0126	3.5766	1.6377	1.6377		2.3090
H6	1.7441	1.3428	2.3090	2.3090	2.3090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.929
H3	N1	H5	107.929	H3	N1	H6	110.973
H4	N1	H5	107.929	H4	N1	H6	110.973
H5	N1	H6	110.973

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

using model chemistry: B3LYP/cc-pVQZ

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	-0.415
2	Cl	-0.306
3	H	0.173
4	H	0.173
5	H	0.173
6	H	0.202

	x	y	z	Total
	0.000	0.000	-4.733	4.733
CHELPG
AIM
ESP

<r²>	78.960
(<r²>)^1/2	8.886

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

using model chemistry: B3LYP/cc-pVQZ

States and conformations

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