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	hartrees
Energy at 0K	-517.173176
Energy at 298.15K
HF Energy	-517.173176
Nuclear repulsion energy	50.544879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3528	3381	5.24
2	A₁	1698	1627	2938.48
3	A₁	1187	1138	64.69
4	A₁	243	233	86.84
5	E	3658	3506	18.55
5	E	3658	3506	18.55
6	E	1730	1658	37.71
6	E	1730	1658	37.71
7	E	1022	979	67.96
7	E	1022	979	67.97
8	E	310	297	15.88
8	E	310	297	15.88

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.818
Cl2	0.000	0.000	1.147
H3	0.000	0.948	-2.175
H4	0.821	-0.474	-2.175
H5	-0.821	-0.474	-2.175
H6	0.000	0.000	-0.246

	N1	Cl2	H3	H4	H5	H6
N1		2.9648	1.0128	1.0128	1.0128	1.5716
Cl2	2.9648		3.4542	3.4542	3.4542	1.3932
H3	1.0128	3.4542		1.6418	1.6418	2.1487
H4	1.0128	3.4542	1.6418		1.6418	2.1487
H5	1.0128	3.4542	1.6418	1.6418		2.1487
H6	1.5716	1.3932	2.1487	2.1487	2.1487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.292
H3	N1	H5	108.292	H3	N1	H6	110.626
H4	N1	H5	108.292	H4	N1	H6	110.626
H5	N1	H6	110.626

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

using model chemistry: PBE1PBE/6-311G*

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	-1.006
2	Cl	-0.463
3	H	0.381
4	H	0.381
5	H	0.381
6	H	0.327

	x	y	z	Total
	0.000	0.000	-6.097	6.097
CHELPG
AIM
ESP

<r²>	74.201
(<r²>)^1/2	8.614

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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