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	hartrees
Energy at 0K	-514.761767
Energy at 298.15K
HF Energy	-514.761767
Nuclear repulsion energy	51.418578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3429	3292	12.00
2	A₁	1217	1168	2670.37
3	A₁	1197	1149	921.68
4	A₁	410	394	51.66
5	E	3576	3433	38.63
5	E	3576	3433	38.62
6	E	1730	1661	34.65
6	E	1730	1661	34.66
7	E	1309	1256	93.38
7	E	1309	1256	93.38
8	E	363	349	11.14
8	E	363	349	11.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.758
Cl2	0.000	0.000	1.111
H3	0.000	0.974	-2.072
H4	0.843	-0.487	-2.072
H5	-0.843	-0.487	-2.072
H6	0.000	0.000	-0.366

	N1	Cl2	H3	H4	H5	H6
N1		2.8693	1.0229	1.0229	1.0229	1.3920
Cl2	2.8693		3.3285	3.3285	3.3285	1.4774
H3	1.0229	3.3285		1.6865	1.6865	1.9639
H4	1.0229	3.3285	1.6865		1.6865	1.9639
H5	1.0229	3.3285	1.6865	1.6865		1.9639
H6	1.3920	1.4774	1.9639	1.9639	1.9639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	111.044
H3	N1	H5	111.044	H3	N1	H6	107.849
H4	N1	H5	111.044	H4	N1	H6	107.849
H5	N1	H6	107.849

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

using model chemistry: HSEh1PBE/3-21G*

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	-0.813
2	Cl	-0.530
3	H	0.351
4	H	0.351
5	H	0.351
6	H	0.291

	x	y	z	Total
	0.000	0.000	-7.434	7.434
CHELPG
AIM
ESP

<r²>	69.685
(<r²>)^1/2	8.348

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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