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	hartrees
Energy at 0K	-517.329249
Energy at 298.15K
HF Energy	-517.329249
Nuclear repulsion energy	49.874074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3521	3340	6.78
2	A₁	2051	1946	2230.30
3	A₁	1186	1125	122.02
4	A₁	240	228	39.95
5	E	3664	3476	17.96
5	E	3664	3476	17.99
6	E	1714	1626	30.72
6	E	1714	1626	30.73
7	E	897	851	91.75
7	E	897	851	91.77
8	E	275	260	17.49
8	E	274	260	17.50

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.861
Cl2	0.000	0.000	1.170
H3	0.000	0.949	-2.226
H4	0.821	-0.474	-2.226
H5	-0.821	-0.474	-2.226
H6	0.000	0.000	-0.189

	N1	Cl2	H3	H4	H5	H6
N1		3.0311	1.0162	1.0162	1.0162	1.6724
Cl2	3.0311		3.5258	3.5258	3.5258	1.3587
H3	1.0162	3.5258		1.6429	1.6429	2.2472
H4	1.0162	3.5258	1.6429		1.6429	2.2472
H5	1.0162	3.5258	1.6429	1.6429		2.2472
H6	1.6724	1.3587	2.2472	2.2472	2.2472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.866
H3	N1	H5	107.866	H3	N1	H6	111.033
H4	N1	H5	107.866	H4	N1	H6	111.033
H5	N1	H6	111.033

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

using model chemistry: wB97X-D/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	-0.957
2	Cl	-0.369
3	H	0.358
4	H	0.358
5	H	0.358
6	H	0.252

	x	y	z	Total
	0.000	0.000	-5.638	5.638
CHELPG
AIM
ESP

<r²>	76.428
(<r²>)^1/2	8.742

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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