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	hartrees
Energy at 0K	-517.163929
Energy at 298.15K
HF Energy	-517.163929
Nuclear repulsion energy	50.226044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3394	3356	0.24
2	A₁	1769	1749	2850.99
3	A₁	1091	1079	59.61
4	A₁	228	226	69.70
5	E	3520	3480	22.22
5	E	3520	3480	22.22
6	E	1608	1590	22.97
6	E	1608	1590	22.97
7	E	939	929	20.97
7	E	939	929	20.97
8	E	270	267	11.04
8	E	270	267	11.04

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.829
Cl2	0.000	0.000	1.154
H3	0.000	0.954	-2.195
H4	0.826	-0.477	-2.195
H5	-0.826	-0.477	-2.195
H6	0.000	0.000	-0.235

	N1	Cl2	H3	H4	H5	H6
N1		2.9836	1.0212	1.0212	1.0212	1.5941
Cl2	2.9836		3.4822	3.4822	3.4822	1.3895
H3	1.0212	3.4822		1.6516	1.6516	2.1793
H4	1.0212	3.4822	1.6516		1.6516	2.1793
H5	1.0212	3.4822	1.6516	1.6516		2.1793
H6	1.5941	1.3895	2.1793	2.1793	2.1793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.928
H3	N1	H5	107.928	H3	N1	H6	110.974
H4	N1	H5	107.928	H4	N1	H6	110.974
H5	N1	H6	110.974

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	-0.075
2	Cl	-0.356
3	H	0.084
4	H	0.084
5	H	0.084
6	H	0.177

	x	y	z	Total
	0.000	0.000	-5.298	5.298
CHELPG
AIM
ESP

<r²>	75.120
(<r²>)^1/2	8.667

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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