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	hartrees
Energy at 0K	-27.258228
Energy at 298.15K
HF Energy	-27.258228
Nuclear repulsion energy	22.967344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3493	3493	2.13
2	A₁	2161	2161	2282.74
3	A₁	1179	1179	145.52
4	A₁	212	212	43.03
5	E	3635	3635	11.48
5	E	3635	3635	11.42
6	E	1715	1715	35.52
6	E	1715	1715	35.55
7	E	816	816	80.62
7	E	816	816	80.59
8	E	164	164	11.27
8	E	164	164	11.28

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.870
Cl2	0.000	0.000	1.176
H3	0.000	0.949	-2.239
H4	0.822	-0.474	-2.239
H5	-0.822	-0.474	-2.239
H6	0.000	0.000	-0.189

	N1	Cl2	H3	H4	H5	H6
N1		3.0466	1.0180	1.0180	1.0180	1.6818
Cl2	3.0466		3.5451	3.5451	3.5451	1.3649
H3	1.0180	3.5451		1.6432	1.6432	2.2597
H4	1.0180	3.5451	1.6432		1.6432	2.2597
H5	1.0180	3.5451	1.6432	1.6432		2.2597
H6	1.6818	1.3649	2.2597	2.2597	2.2597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.622
H3	N1	H5	107.622	H3	N1	H6	111.263
H4	N1	H5	107.622	H4	N1	H6	111.263
H5	N1	H6	111.263

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

using model chemistry: wB97X-D/CEP-121G*

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	-0.975
2	Cl	-0.390
3	H	0.359
4	H	0.359
5	H	0.359
6	H	0.287

	x	y	z	Total
	0.000	0.000	-5.445	5.445
CHELPG
AIM
ESP

	x	y	z
x	2.594	0.000	0.000
y	0.000	2.593	0.001
z	0.000	0.001	5.002

<r²>	56.010
(<r²>)^1/2	7.484

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

using model chemistry: wB97X-D/CEP-121G*

States and conformations

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