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	hartrees
Energy at 0K	-517.363343
Energy at 298.15K
HF Energy	-517.363343
Nuclear repulsion energy	50.104487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3421	3421	2.37
2	A₁	1890	1890	2480.52
3	A₁	1125	1125	53.79
4	A₁	246	246	48.62
5	E	3566	3566	13.23
5	E	3566	3566	13.23
6	E	1654	1654	22.60
6	E	1654	1654	22.60
7	E	934	934	69.09
7	E	934	934	69.09
8	E	272	272	17.07
8	E	272	272	17.07

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.840
Cl2	0.000	0.000	1.160
H3	0.000	0.950	-2.209
H4	0.823	-0.475	-2.209
H5	-0.823	-0.475	-2.209
H6	0.000	0.000	-0.215

	N1	Cl2	H3	H4	H5	H6
N1		3.0006	1.0193	1.0193	1.0193	1.6259
Cl2	3.0006		3.5004	3.5004	3.5004	1.3747
H3	1.0193	3.5004		1.6462	1.6462	2.2091
H4	1.0193	3.5004	1.6462		1.6462	2.2091
H5	1.0193	3.5004	1.6462	1.6462		2.2091
H6	1.6259	1.3747	2.2091	2.2091	2.2091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.710
H3	N1	H5	107.710	H3	N1	H6	111.180
H4	N1	H5	107.710	H4	N1	H6	111.180
H5	N1	H6	111.180

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

using model chemistry: B97D3/6-31G**

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	-0.711
2	Cl	-0.348
3	H	0.286
4	H	0.286
5	H	0.286
6	H	0.202

	x	y	z	Total
	0.000	0.000	-5.801	5.801
CHELPG
AIM
ESP

<r²>	75.198
(<r²>)^1/2	8.672

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

using model chemistry: B97D3/6-31G**

States and conformations

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