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	hartrees
Energy at 0K	-517.172652
Energy at 298.15K	-517.167307
HF Energy	-517.364772
Nuclear repulsion energy	49.801020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3464	3326	4.90
2	A₁	1974	1895	2263.78
3	A₁	1183	1136	77.91
4	A₁	238	229	41.92
5	E	3597	3454	13.53
5	E	3597	3454	13.53
6	E	1708	1640	26.27
6	E	1708	1640	26.27
7	E	911	875	83.74
7	E	911	875	83.74
8	E	285	273	17.87
8	E	285	273	17.87

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.861
Cl2	0.000	0.000	1.171
H3	0.000	0.949	-2.230
H4	0.822	-0.475	-2.230
H5	-0.822	-0.475	-2.230
H6	0.000	0.000	-0.197

	N1	Cl2	H3	H4	H5	H6
N1		3.0323	1.0186	1.0186	1.0186	1.6640
Cl2	3.0323		3.5316	3.5316	3.5316	1.3683
H3	1.0186	3.5316		1.6443	1.6443	2.2439
H4	1.0186	3.5316	1.6443		1.6443	2.2439
H5	1.0186	3.5316	1.6443	1.6443		2.2439
H6	1.6640	1.3683	2.2439	2.2439	2.2439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.616
H3	N1	H5	107.616	H3	N1	H6	111.269
H4	N1	H5	107.616	H4	N1	H6	111.269
H5	N1	H6	111.269

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

using model chemistry: G3B3

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	-0.898
2	Cl	-0.369
3	H	0.342
4	H	0.342
5	H	0.342
6	H	0.241

	x	y	z	Total
	0.000	0.000	-5.689	5.689
CHELPG
AIM
ESP

<r²>	76.586
(<r²>)^1/2	8.751

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

using model chemistry: G3B3

States and conformations

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