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	hartrees
Energy at 0K	-27.251183
Energy at 298.15K
HF Energy	-27.251183
Nuclear repulsion energy	23.030874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3465	3346	5.20
2	A₁	1865	1801	2579.36
3	A₁	1189	1149	86.74
4	A₁	230	222	55.95
5	E	3602	3478	13.02
5	E	3602	3478	13.00
6	E	1685	1627	26.48
6	E	1685	1627	26.47
7	E	968	934	80.59
7	E	968	934	80.59
8	E	293	283	20.06
8	E	293	283	20.06

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.846
Cl2	0.000	0.000	1.165
H3	0.000	0.955	-2.219
H4	0.827	-0.478	-2.219
H5	-0.827	-0.478	-2.219
H6	0.000	0.000	-0.222

	N1	Cl2	H3	H4	H5	H6
N1		3.0102	1.0256	1.0256	1.0256	1.6238
Cl2	3.0102		3.5161	3.5161	3.5161	1.3863
H3	1.0256	3.5161		1.6543	1.6543	2.2141
H4	1.0256	3.5161	1.6543		1.6543	2.2141
H5	1.0256	3.5161	1.6543	1.6543		2.2141
H6	1.6238	1.3863	2.2141	2.2141	2.2141

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.510
H3	N1	H5	107.510	H3	N1	H6	111.368
H4	N1	H5	107.510	H4	N1	H6	111.368
H5	N1	H6	111.368

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

using model chemistry: B3LYP/CEP-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	-0.815
2	Cl	-0.389
3	H	0.312
4	H	0.312
5	H	0.312
6	H	0.269

	x	y	z	Total
	0.000	0.000	-5.673	5.673
CHELPG
AIM
ESP

<r²>	55.125
(<r²>)^1/2	7.425

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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