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	hartrees
Energy at 0K	-517.145573
Energy at 298.15K
HF Energy	-517.037610
Nuclear repulsion energy	49.717580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3519	3519	3.58
2	A₁	2212	2212	2071.46
3	A₁	1167	1167	105.38
4	A₁	217	217	34.65
5	E	3660	3660	13.27
5	E	3660	3660	13.27
6	E	1699	1699	23.62
6	E	1699	1699	23.62
7	E	875	875	78.40
7	E	875	875	78.40
8	E	275	275	19.91
8	E	275	275	19.91

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.875
Cl2	0.000	0.000	1.178
H3	0.000	0.944	-2.246
H4	0.818	-0.472	-2.246
H5	-0.818	-0.472	-2.246
H6	0.000	0.000	-0.163

	N1	Cl2	H3	H4	H5	H6
N1		3.0530	1.0145	1.0145	1.0145	1.7125
Cl2	3.0530		3.5514	3.5514	3.5514	1.3406
H3	1.0145	3.5514		1.6358	1.6358	2.2871
H4	1.0145	3.5514	1.6358		1.6358	2.2871
H5	1.0145	3.5514	1.6358	1.6358		2.2871
H6	1.7125	1.3406	2.2871	2.2871	2.2871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.453
H3	N1	H5	107.453	H3	N1	H6	111.421
H4	N1	H5	107.453	H4	N1	H6	111.421
H5	N1	H6	111.421

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

using model chemistry: B2PLYP/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	-0.742
2	Cl	-0.319
3	H	0.283
4	H	0.283
5	H	0.283
6	H	0.211

	x	y	z	Total
	0.000	0.000	-5.344	5.344
CHELPG
AIM
ESP

<r²>	77.406
(<r²>)^1/2	8.798

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

using model chemistry: B2PLYP/6-31G**

States and conformations

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