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	hartrees
Energy at 0K	-517.382406
Energy at 298.15K
HF Energy	-517.382406
Nuclear repulsion energy	49.842141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3478	3356	3.44
2	A₁	2048	1976	2389.48
3	A₁	1127	1088	77.49
4	A₁	212	205	45.61
5	E	3604	3478	17.13
5	E	3604	3478	17.13
6	E	1665	1607	21.40
6	E	1665	1607	21.40
7	E	879	849	51.49
7	E	879	849	51.49
8	E	258	249	14.18
8	E	258	249	14.18

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.863
Cl2	0.000	0.000	1.172
H3	0.000	0.947	-2.230
H4	0.820	-0.474	-2.230
H5	-0.820	-0.474	-2.230
H6	0.000	0.000	-0.185

	N1	Cl2	H3	H4	H5	H6
N1		3.0349	1.0158	1.0158	1.0158	1.6783
Cl2	3.0349		3.5315	3.5315	3.5315	1.3566
H3	1.0158	3.5315		1.6404	1.6404	2.2542
H4	1.0158	3.5315	1.6404		1.6404	2.2542
H5	1.0158	3.5315	1.6404	1.6404		2.2542
H6	1.6783	1.3566	2.2542	2.2542	2.2542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.692
H3	N1	H5	107.692	H3	N1	H6	111.197
H4	N1	H5	107.692	H4	N1	H6	111.197
H5	N1	H6	111.197

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

using model chemistry: B3LYPultrafine/6-31G(2df,p)

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	-0.693
2	Cl	-0.448
3	H	0.270
4	H	0.270
5	H	0.270
6	H	0.330

	x	y	z	Total
	0.000	0.000	-5.257	5.257
CHELPG
AIM
ESP

<r²>	76.615
(<r²>)^1/2	8.753

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

using model chemistry: B3LYPultrafine/6-31G(2df,p)

States and conformations

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