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	hartrees
Energy at 0K	-514.805634
Energy at 298.15K
HF Energy	-514.805634
Nuclear repulsion energy	50.319486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3270	3252	4.07
2	A₁	1225	1218	1153.97
3	A₁	1160	1153	2043.06
4	A₁	411	409	4.97
5	E	3403	3384	29.60
5	E	3403	3384	29.60
6	E	1686	1677	23.91
6	E	1686	1677	23.91
7	E	1340	1332	97.99
7	E	1340	1332	97.99
8	E	339	337	7.46
8	E	339	337	7.46

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.791
Cl2	0.000	0.000	1.139
H3	0.000	0.982	-2.117
H4	0.851	-0.491	-2.117
H5	-0.851	-0.491	-2.117
H6	0.000	0.000	-0.475

	N1	Cl2	H3	H4	H5	H6
N1		2.9293	1.0352	1.0352	1.0352	1.3151
Cl2	2.9293		3.4008	3.4008	3.4008	1.6143
H3	1.0352	3.4008		1.7016	1.7016	1.9131
H4	1.0352	3.4008	1.7016		1.7016	1.9131
H5	1.0352	3.4008	1.7016	1.7016		1.9131
H6	1.3151	1.6143	1.9131	1.9131	1.9131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	110.539
H3	N1	H5	110.539	H3	N1	H6	108.381
H4	N1	H5	110.539	H4	N1	H6	108.381
H5	N1	H6	108.381

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

using model chemistry: BLYP/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	-0.691
2	Cl	-0.545
3	H	0.332
4	H	0.332
5	H	0.332
6	H	0.239

	x	y	z	Total
	0.000	0.000	-8.615	8.615
CHELPG
AIM
ESP

<r²>	72.262
(<r²>)^1/2	8.501

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

using model chemistry: BLYP/3-21G

States and conformations

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