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	hartrees
Energy at 0K	-517.332838
Energy at 298.15K
HF Energy	-517.332838
Nuclear repulsion energy	51.453535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3504	3317	17.52
2	A₁	1314	1243	229.23
3	A₁	1042	986	3889.65
4	A₁	450	426	4.54
5	E	3668	3472	57.30
5	E	3668	3472	57.30
6	E	1728	1636	48.15
6	E	1728	1636	48.15
7	E	1451	1373	101.97
7	E	1451	1373	101.97
8	E	389	368	8.23
8	E	389	368	8.23

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.749
Cl2	0.000	0.000	1.112
H3	0.000	0.967	-2.060
H4	0.837	-0.483	-2.060
H5	-0.837	-0.483	-2.060
H6	0.000	0.000	-0.484

	N1	Cl2	H3	H4	H5	H6
N1		2.8618	1.0156	1.0156	1.0156	1.2659
Cl2	2.8618		3.3168	3.3168	3.3168	1.5959
H3	1.0156	3.3168		1.6745	1.6745	1.8496
H4	1.0156	3.3168	1.6745		1.6745	1.8496
H5	1.0156	3.3168	1.6745	1.6745		1.8496
H6	1.2659	1.5959	1.8496	1.8496	1.8496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	111.060
H3	N1	H5	111.060	H3	N1	H6	107.831
H4	N1	H5	111.060	H4	N1	H6	107.831
H5	N1	H6	107.831

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

using model chemistry: mPW1PW91/6-31G

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	-0.877
2	Cl	-0.501
3	H	0.385
4	H	0.385
5	H	0.385
6	H	0.223

	x	y	z	Total
	0.000	0.000	-8.595	8.595
CHELPG
AIM
ESP

<r²>	69.611
(<r²>)^1/2	8.343

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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