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	hartrees
Energy at 0K	-517.148045
Energy at 298.15K
HF Energy	-517.148045
Nuclear repulsion energy	50.083562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3396	3358	1.23
2	A₁	1832	1812	2668.51
3	A₁	1098	1086	81.57
4	A₁	235	232	57.97
5	E	3526	3487	18.89
5	E	3526	3487	18.90
6	E	1616	1598	28.35
6	E	1616	1598	28.35
7	E	936	926	47.16
7	E	936	926	47.16
8	E	266	263	15.68
8	E	266	263	15.68

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.837
Cl2	0.000	0.000	1.159
H3	0.000	0.955	-2.201
H4	0.827	-0.478	-2.201
H5	-0.827	-0.478	-2.201
H6	0.000	0.000	-0.231

	N1	Cl2	H3	H4	H5	H6
N1		2.9958	1.0221	1.0221	1.0221	1.6059
Cl2	2.9958		3.4926	3.4926	3.4926	1.3899
H3	1.0221	3.4926		1.6545	1.6545	2.1890
H4	1.0221	3.4926	1.6545		1.6545	2.1890
H5	1.0221	3.4926	1.6545	1.6545		2.1890
H6	1.6059	1.3899	2.1890	2.1890	2.1890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.070
H3	N1	H5	108.070	H3	N1	H6	110.839
H4	N1	H5	108.070	H4	N1	H6	110.839
H5	N1	H6	110.839

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

using model chemistry: PBEPBE/TZVP

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	-0.591
2	Cl	-0.370
3	H	0.241
4	H	0.241
5	H	0.241
6	H	0.239

	x	y	z	Total
	0.000	0.000	-5.675	5.675
CHELPG
AIM
ESP

<r²>	75.375
(<r²>)^1/2	8.682

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

using model chemistry: PBEPBE/TZVP

States and conformations

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