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	hartrees
Energy at 0K	-511.643725
Energy at 298.15K
HF Energy	-511.643725
Nuclear repulsion energy	50.750754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3428	3428	0.61
2	A₁	2282	2282	2930.63
3	A₁	1292	1292	0.47
4	A₁	442	442	15.59
5	E	3689	3689	3.58
5	E	3689	3689	3.58
6	E	1805	1805	8.32
6	E	1805	1805	8.31
7	E	1254	1254	98.79
7	E	1254	1254	98.78
8	E	364	364	21.09
8	E	364	364	21.09

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.752
Cl2	0.000	0.000	1.123
H3	0.000	0.977	-2.161
H4	0.846	-0.488	-2.161
H5	-0.846	-0.488	-2.161
H6	0.000	0.000	-0.344

	N1	Cl2	H3	H4	H5	H6
N1		2.8746	1.0589	1.0589	1.0589	1.4074
Cl2	2.8746		3.4260	3.4260	3.4260	1.4672
H3	1.0589	3.4260		1.6914	1.6914	2.0625
H4	1.0589	3.4260	1.6914		1.6914	2.0625
H5	1.0589	3.4260	1.6914	1.6914		2.0625
H6	1.4074	1.4672	2.0625	2.0625	2.0625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.014
H3	N1	H5	106.014	H3	N1	H6	112.740
H4	N1	H5	106.014	H4	N1	H6	112.740
H5	N1	H6	112.740

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

using model chemistry: B97D3/STO-3G

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	-0.390
2	Cl	-0.467
3	H	0.222
4	H	0.222
5	H	0.222
6	H	0.190

	x	y	z	Total
	0.000	0.000	-7.432	7.432
CHELPG
AIM
ESP

<r²>	69.854
(<r²>)^1/2	8.358

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

using model chemistry: B97D3/STO-3G

States and conformations

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