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	hartrees
Energy at 0K	-516.335119
Energy at 298.15K
HF Energy	-516.335119
Nuclear repulsion energy	47.551151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3684	3353	0.67
2	A₁	2827	2573	851.03
3	A₁	1182	1075	178.77
4	A₁	139	127	8.01
5	E	3806	3464	11.58
5	E	3806	3464	11.58
6	E	1791	1630	22.85
6	E	1791	1630	22.85
7	E	612	557	61.52
7	E	612	557	61.52
8	E	202	184	17.97
8	E	202	184	17.97

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-2.054
Cl2	0.000	0.000	1.272
H3	0.000	0.933	-2.413
H4	0.808	-0.466	-2.413
H5	-0.808	-0.466	-2.413
H6	0.000	0.000	-0.016

	N1	Cl2	H3	H4	H5	H6
N1		3.3263	0.9994	0.9994	0.9994	2.0381
Cl2	3.3263		3.8014	3.8014	3.8014	1.2881
H3	0.9994	3.8014		1.6156	1.6156	2.5722
H4	0.9994	3.8014	1.6156		1.6156	2.5722
H5	0.9994	3.8014	1.6156	1.6156		2.5722
H6	2.0381	1.2881	2.5722	2.5722	2.5722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.850
H3	N1	H5	107.850	H3	N1	H6	111.047
H4	N1	H5	107.850	H4	N1	H6	111.047
H5	N1	H6	111.047

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

using model chemistry: HF/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	-0.481
2	Cl	-0.272
3	H	0.177
4	H	0.177
5	H	0.177
6	H	0.222

	x	y	z	Total
	0.000	0.000	-4.013	4.013
CHELPG
AIM
ESP

<r²>	88.625
(<r²>)^1/2	9.414

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

using model chemistry: HF/cc-pVTZ

States and conformations

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