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	hartrees
Energy at 0K	-517.196513
Energy at 298.15K
HF Energy	-517.196513
Nuclear repulsion energy	50.201306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3522	3522	0.76
2	A₁	2039	2039	2589.48
3	A₁	1110	1110	116.78
4	A₁	203	203	55.14
5	E	3651	3651	24.10
5	E	3651	3651	24.10
6	E	1657	1657	25.31
6	E	1657	1657	25.31
7	E	903	903	27.60
7	E	903	903	27.60
8	E	265	265	14.18
8	E	265	265	14.17

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.847
Cl2	0.000	0.000	1.161
H3	0.000	0.946	-2.207
H4	0.819	-0.473	-2.207
H5	-0.819	-0.473	-2.207
H6	0.000	0.000	-0.192

	N1	Cl2	H3	H4	H5	H6
N1		3.0079	1.0120	1.0120	1.0120	1.6553
Cl2	3.0079		3.4982	3.4982	3.4982	1.3527
H3	1.0120	3.4982		1.6382	1.6382	2.2262
H4	1.0120	3.4982	1.6382		1.6383	2.2262
H5	1.0120	3.4982	1.6382	1.6383		2.2262
H6	1.6553	1.3527	2.2262	2.2262	2.2262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.072
H3	N1	H5	108.072	H3	N1	H6	110.837
H4	N1	H5	108.072	H4	N1	H6	110.837
H5	N1	H6	110.837

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

using model chemistry: PBE1PBE/6-311+G(3df,2p)

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	-0.469
2	Cl	-0.473
3	H	0.173
4	H	0.173
5	H	0.173
6	H	0.422

	x	y	z	Total
	0.000	0.000	-4.950	4.950
CHELPG
AIM
ESP

<r²>	75.822
(<r²>)^1/2	8.708

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

using model chemistry: PBE1PBE/6-311+G(3df,2p)

States and conformations

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