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	hartrees
Energy at 0K	-517.205223
Energy at 298.15K
HF Energy	-517.205223
Nuclear repulsion energy	50.312024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3509	3374	1.04
2	A₁	1963	1887	2722.35
3	A₁	1117	1074	108.83
4	A₁	210	202	63.06
5	E	3639	3498	25.26
5	E	3639	3498	25.26
6	E	1656	1592	24.19
6	E	1656	1592	24.19
7	E	920	884	26.31
7	E	920	884	26.31
8	E	269	259	12.56
8	E	269	259	12.56

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.838
Cl2	0.000	0.000	1.157
H3	0.000	0.946	-2.197
H4	0.819	-0.473	-2.197
H5	-0.819	-0.473	-2.197
H6	0.000	0.000	-0.207

	N1	Cl2	H3	H4	H5	H6
N1		2.9944	1.0122	1.0122	1.0122	1.6312
Cl2	2.9944		3.4849	3.4849	3.4849	1.3632
H3	1.0122	3.4849		1.6388	1.6388	2.2042
H4	1.0122	3.4849	1.6388		1.6388	2.2042
H5	1.0122	3.4849	1.6388	1.6388		2.2042
H6	1.6312	1.3632	2.2042	2.2042	2.2042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.101
H3	N1	H5	108.101	H3	N1	H6	110.809
H4	N1	H5	108.101	H4	N1	H6	110.809
H5	N1	H6	110.809

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

using model chemistry: PBE1PBE/aug-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	-0.104
2	Cl	-0.367
3	H	0.086
4	H	0.086
5	H	0.086
6	H	0.214

	x	y	z	Total
	0.000	0.000	-5.065	5.065
CHELPG
AIM
ESP

<r²>	75.279
(<r²>)^1/2	8.676

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

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