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	hartrees
Energy at 0K	-517.390473
Energy at 298.15K
HF Energy	-517.390473
Nuclear repulsion energy	49.223790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3378	3359	0.01
2	A₁	2043	2031	2240.70
3	A₁	1080	1075	86.40
4	A₁	191	189	38.42
5	E	3493	3474	14.82
5	E	3493	3474	14.82
6	E	1624	1615	22.37
6	E	1624	1615	22.37
7	E	823	819	25.15
7	E	823	819	25.15
8	E	249	248	13.65
8	E	249	248	13.65

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.897
Cl2	0.000	0.000	1.190
H3	0.000	0.953	-2.264
H4	0.825	-0.477	-2.264
H5	-0.825	-0.477	-2.264
H6	0.000	0.000	-0.167

	N1	Cl2	H3	H4	H5	H6
N1		3.0873	1.0215	1.0215	1.0215	1.7296
Cl2	3.0873		3.5839	3.5839	3.5839	1.3578
H3	1.0215	3.5839		1.6509	1.6509	2.3035
H4	1.0215	3.5839	1.6509		1.6509	2.3035
H5	1.0215	3.5839	1.6509	1.6509		2.3035
H6	1.7296	1.3578	2.3035	2.3035	2.3035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.812
H3	N1	H5	107.812	H3	N1	H6	111.083
H4	N1	H5	107.812	H4	N1	H6	111.083
H5	N1	H6	111.083

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

using model chemistry: BLYP/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	-0.589
2	Cl	-0.438
3	H	0.214
4	H	0.214
5	H	0.214
6	H	0.386

	x	y	z	Total
	0.000	0.000	-4.759	4.759
CHELPG
AIM
ESP

<r²>	79.352
(<r²>)^1/2	8.908

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

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

States and conformations

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