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	hartrees
Energy at 0K	-27.238118
Energy at 298.15K
HF Energy	-27.238118
Nuclear repulsion energy	23.836713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3468	3468	7.83
2	A₁	1318	1318	277.68
3	A₁	1225	1225	4419.41
4	A₁	473	473	3.48
5	E	3643	3643	37.48
5	E	3643	3643	37.49
6	E	1718	1718	40.16
6	E	1718	1718	40.22
7	E	1479	1479	89.43
7	E	1479	1479	89.39
8	E	373	373	7.17
8	E	373	373	7.17

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.750
Cl2	0.000	0.000	1.115
H3	0.000	0.968	-2.064
H4	0.838	-0.484	-2.064
H5	-0.838	-0.484	-2.064
H6	0.000	0.000	-0.511

	N1	Cl2	H3	H4	H5	H6
N1		2.8644	1.0179	1.0179	1.0179	1.2383
Cl2	2.8644		3.3233	3.3233	3.3233	1.6261
H3	1.0179	3.3233		1.6767	1.6767	1.8301
H4	1.0179	3.3233	1.6767		1.6767	1.8301
H5	1.0179	3.3233	1.6767	1.6767		1.8301
H6	1.2383	1.6261	1.8301	1.8301	1.8301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	110.886
H3	N1	H5	110.886	H3	N1	H6	108.017
H4	N1	H5	110.886	H4	N1	H6	108.017
H5	N1	H6	108.017

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	-0.780
2	Cl	-0.525
3	H	0.369
4	H	0.369
5	H	0.369
6	H	0.197

	x	y	z	Total
	0.000	0.000	-8.860	8.860
CHELPG
AIM
ESP

<r²>	50.953
(<r²>)^1/2	7.138

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)