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	hartrees
Energy at 0K	-517.184072
Energy at 298.15K
HF Energy	-517.184072
Nuclear repulsion energy	50.006597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3488	3355	4.76
2	A₁	2077	1998	2548.76
3	A₁	1133	1090	69.06
4	A₁	232	224	46.84
5	E	3624	3486	21.09
5	E	3624	3486	21.08
6	E	1651	1588	18.43
6	E	1651	1588	18.42
7	E	912	877	53.23
7	E	912	877	53.23
8	E	252	243	17.87
8	E	252	243	17.87

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.844
Cl2	0.000	0.000	1.164
H3	0.000	0.946	-2.227
H4	0.819	-0.473	-2.227
H5	-0.819	-0.473	-2.227
H6	0.000	0.000	-0.203

	N1	Cl2	H3	H4	H5	H6
N1		3.0080	1.0206	1.0206	1.0206	1.6411
Cl2	3.0080		3.5209	3.5209	3.5209	1.3669
H3	1.0206	3.5209		1.6382	1.6382	2.2346
H4	1.0206	3.5209	1.6382		1.6382	2.2346
H5	1.0206	3.5209	1.6382	1.6382		2.2346
H6	1.6411	1.3669	2.2346	2.2346	2.2346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.754
H3	N1	H5	106.754	H3	N1	H6	112.068
H4	N1	H5	106.754	H4	N1	H6	112.068
H5	N1	H6	112.068

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	-0.199
2	Cl	-0.374
3	H	0.121
4	H	0.121
5	H	0.121
6	H	0.210

	x	y	z	Total
	0.000	0.000	-5.567	5.567
CHELPG
AIM
ESP

<r²>	75.669
(<r²>)^1/2	8.699

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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