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	hartrees
Energy at 0K	-27.253366
Energy at 298.15K
HF Energy	-27.253366
Nuclear repulsion energy	23.035275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3512	3512	5.28
2	A₁	2113	2113	2494.39
3	A₁	1195	1195	143.86
4	A₁	236	236	45.30
5	E	3667	3667	17.65
5	E	3667	3667	17.56
6	E	1697	1697	29.52
6	E	1697	1697	29.53
7	E	915	915	89.91
7	E	915	915	89.88
8	E	256	256	17.55
8	E	256	256	17.58

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.852
Cl2	0.000	0.000	1.167
H3	0.000	0.953	-2.223
H4	0.825	-0.476	-2.223
H5	-0.825	-0.476	-2.223
H6	0.000	0.000	-0.206

	N1	Cl2	H3	H4	H5	H6
N1		3.0186	1.0224	1.0224	1.0224	1.6456
Cl2	3.0186		3.5211	3.5211	3.5211	1.3730
H3	1.0224	3.5211		1.6500	1.6500	2.2304
H4	1.0224	3.5211	1.6500		1.6500	2.2304
H5	1.0224	3.5211	1.6500	1.6500		2.2304
H6	1.6456	1.3730	2.2304	2.2304	2.2304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.598
H3	N1	H5	107.598	H3	N1	H6	111.285
H4	N1	H5	107.598	H4	N1	H6	111.285
H5	N1	H6	111.285

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

using model chemistry: wB97X-D/CEP-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	-0.845
2	Cl	-0.380
3	H	0.318
4	H	0.318
5	H	0.318
6	H	0.270

	x	y	z	Total
	0.000	0.000	-5.571	5.571
CHELPG
AIM
ESP

<r²>	55.253
(<r²>)^1/2	7.433

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

using model chemistry: wB97X-D/CEP-31G*

States and conformations

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