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	hartrees
Energy at 0K	-517.348981
Energy at 298.15K
HF Energy	-517.348981
Nuclear repulsion energy	50.013904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3397	3330	3.64
2	A₁	1800	1765	2442.59
3	A₁	1157	1134	40.82
4	A₁	254	249	48.06
5	E	3541	3472	13.01
5	E	3541	3472	13.01
6	E	1683	1650	25.65
6	E	1683	1650	25.66
7	E	938	919	78.04
7	E	938	919	78.03
8	E	276	270	16.43
8	E	276	270	16.43

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.842
Cl2	0.000	0.000	1.162
H3	0.000	0.953	-2.211
H4	0.825	-0.476	-2.211
H5	-0.825	-0.476	-2.211
H6	0.000	0.000	-0.222

	N1	Cl2	H3	H4	H5	H6
N1		3.0039	1.0214	1.0214	1.0214	1.6203
Cl2	3.0039		3.5046	3.5046	3.5046	1.3836
H3	1.0214	3.5046		1.6498	1.6498	2.2054
H4	1.0214	3.5046	1.6498		1.6498	2.2054
H5	1.0214	3.5046	1.6498	1.6498		2.2054
H6	1.6203	1.3836	2.2054	2.2054	2.2054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.727
H3	N1	H5	107.727	H3	N1	H6	111.164
H4	N1	H5	107.727	H4	N1	H6	111.164
H5	N1	H6	111.164

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

using model chemistry: B97D3/6-31G*

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	-0.886
2	Cl	-0.378
3	H	0.344
4	H	0.344
5	H	0.344
6	H	0.232

	x	y	z	Total
	0.000	0.000	-5.911	5.911
CHELPG
AIM
ESP

<r²>	75.390
(<r²>)^1/2	8.683

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

using model chemistry: B97D3/6-31G*

States and conformations

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