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	hartrees
Energy at 0K	-72.105834
Energy at 298.15K
HF Energy	-72.105834
Nuclear repulsion energy	30.350151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3521	3521	10.83
2	A₁	1291	1291	225.53
3	A₁	798	798	3868.37
4	A₁	438	438	14.89
5	E	3693	3693	41.63
5	E	3693	3693	41.65
6	E	1714	1714	49.78
6	E	1714	1714	49.83
7	E	1385	1385	109.79
7	E	1385	1385	109.75
8	E	365	365	8.37
8	E	365	365	8.38

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.748
Cl2	0.000	0.000	1.110
H3	0.000	0.968	-2.063
H4	0.839	-0.484	-2.063
H5	-0.839	-0.484	-2.063
H6	0.000	0.000	-0.448

	N1	Cl2	H3	H4	H5	H6
N1		2.8582	1.0184	1.0184	1.0184	1.2996
Cl2	2.8582		3.3180	3.3180	3.3180	1.5586
H3	1.0184	3.3180		1.6772	1.6772	1.8830
H4	1.0184	3.3180	1.6772		1.6772	1.8830
H5	1.0184	3.3180	1.6772	1.6772		1.8830
H6	1.2996	1.5586	1.8830	1.8830	1.8830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	110.866
H3	N1	H5	110.866	H3	N1	H6	108.037
H4	N1	H5	110.866	H4	N1	H6	108.037
H5	N1	H6	108.037

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

using model chemistry: wB97X-D/LANL2DZ

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	-0.856
2	Cl	-0.494
3	H	0.374
4	H	0.374
5	H	0.374
6	H	0.229

	x	y	z	Total
	0.000	0.000	-8.079	8.079
CHELPG
AIM
ESP

<r²>	56.652
(<r²>)^1/2	7.527

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

using model chemistry: wB97X-D/LANL2DZ

States and conformations

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