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	hartrees
Energy at 0K	-517.306838
Energy at 298.15K
HF Energy	-517.306838
Nuclear repulsion energy	50.261249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3503	3336	7.36
2	A₁	2016	1920	2770.82
3	A₁	1137	1083	100.96
4	A₁	224	213	61.26
5	E	3637	3464	29.99
5	E	3637	3464	29.81
6	E	1657	1578	24.57
6	E	1657	1578	24.46
7	E	883	841	53.91
7	E	883	841	53.91
8	E	263	251	12.44
8	E	263	250	12.47

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.840
Cl2	0.000	0.000	1.158
H3	0.000	0.947	-2.203
H4	0.820	-0.473	-2.203
H5	-0.820	-0.473	-2.203
H6	0.000	0.000	-0.200

	N1	Cl2	H3	H4	H5	H6
N1		2.9976	1.0142	1.0142	1.0142	1.6395
Cl2	2.9976		3.4920	3.4920	3.4920	1.3581
H3	1.0142	3.4920		1.6398	1.6398	2.2156
H4	1.0142	3.4920	1.6398		1.6398	2.2156
H5	1.0142	3.4920	1.6398	1.6398		2.2156
H6	1.6395	1.3581	2.2156	2.2156	2.2156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.890
H3	N1	H5	107.890	H3	N1	H6	111.009
H4	N1	H5	107.890	H4	N1	H6	111.009
H5	N1	H6	111.009

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

using model chemistry: M06-2X/6-31G(2df,p)

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	-0.763
2	Cl	-0.458
3	H	0.293
4	H	0.293
5	H	0.293
6	H	0.343

	x	y	z	Total
	0.000	0.000	-5.356	5.356
CHELPG
AIM
ESP

	x	y	z
x	2.905	0.000	0.000
y	0.000	2.903	0.001
z	0.000	0.001	5.002

<r²>	75.124
(<r²>)^1/2	8.667

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

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

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