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	hartrees
Energy at 0K	-514.852473
Energy at 298.15K
HF Energy	-514.852473
Nuclear repulsion energy	50.681154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3322	3265	8.30
2	A₁	1236	1215	1079.48
3	A₁	1176	1156	2249.99
4	A₁	418	411	10.31
5	E	3466	3407	38.32
5	E	3466	3407	38.31
6	E	1701	1672	27.72
6	E	1701	1672	27.72
7	E	1363	1339	105.23
7	E	1363	1339	105.22
8	E	341	335	7.28
8	E	341	335	7.27

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.777
Cl2	0.000	0.000	1.130
H3	0.000	0.978	-2.098
H4	0.847	-0.489	-2.098
H5	-0.847	-0.489	-2.098
H6	0.000	0.000	-0.474

	N1	Cl2	H3	H4	H5	H6
N1		2.9073	1.0295	1.0295	1.0295	1.3033
Cl2	2.9073		3.3726	3.3726	3.3726	1.6040
H3	1.0295	3.3726		1.6947	1.6947	1.8957
H4	1.0295	3.3726	1.6947		1.6947	1.8957
H5	1.0295	3.3726	1.6947	1.6947		1.8957
H6	1.3033	1.6040	1.8957	1.8957	1.8957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	110.783
H3	N1	H5	110.783	H3	N1	H6	108.126
H4	N1	H5	110.783	H4	N1	H6	108.126
H5	N1	H6	108.126

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

using model chemistry: B97D3/3-21G

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	-0.752
2	Cl	-0.553
3	H	0.350
4	H	0.350
5	H	0.350
6	H	0.254

	x	y	z	Total
	0.000	0.000	-8.646	8.646
CHELPG
AIM
ESP

<r²>	71.256
(<r²>)^1/2	8.441

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

using model chemistry: B97D3/3-21G

States and conformations

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