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	hartrees
Energy at 0K	-517.133566
Energy at 298.15K
HF Energy	-517.133566
Nuclear repulsion energy	50.437579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3410	3374	3.31
2	A₁	1462	1447	3041.65
3	A₁	1145	1133	0.41
4	A₁	267	264	99.40
5	E	3538	3501	16.17
5	E	3538	3501	16.17
6	E	1679	1661	35.05
6	E	1679	1661	35.05
7	E	1052	1042	57.22
7	E	1052	1042	57.22
8	E	308	305	14.35
8	E	308	305	14.34

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.810
Cl2	0.000	0.000	1.145
H3	0.000	0.957	-2.169
H4	0.829	-0.478	-2.169
H5	-0.829	-0.478	-2.169
H6	0.000	0.000	-0.287

	N1	Cl2	H3	H4	H5	H6
N1		2.9545	1.0220	1.0220	1.0220	1.5223
Cl2	2.9545		3.4487	3.4487	3.4487	1.4322
H3	1.0220	3.4487		1.6574	1.6574	2.1105
H4	1.0220	3.4487	1.6574		1.6574	2.1105
H5	1.0220	3.4487	1.6574	1.6574		2.1105
H6	1.5223	1.4322	2.1105	2.1105	2.1105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.367
H3	N1	H5	108.367	H3	N1	H6	110.554
H4	N1	H5	108.367	H4	N1	H6	110.554
H5	N1	H6	110.554

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

using model chemistry: PBEPBE/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	-0.947
2	Cl	-0.474
3	H	0.372
4	H	0.372
5	H	0.372
6	H	0.304

	x	y	z	Total
	0.000	0.000	-6.470	6.470
CHELPG
AIM
ESP

<r²>	73.966
(<r²>)^1/2	8.600

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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