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	hartrees
Energy at 0K	-516.298574
Energy at 298.15K
HF Energy	-516.298574
Nuclear repulsion energy	47.832244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3678	3340	3.21	110.38	0.03	0.05
2	A₁	2790	2534	1040.26	320.74	0.37	0.54
3	A₁	1234	1120	150.31	0.68	0.00	0.00
4	A₁	165	149	10.10	0.26	0.43	0.60
5	E	3802	3452	10.67	61.65	0.75	0.86
5	E	3802	3452	10.67	61.65	0.75	0.86
6	E	1789	1625	18.92	7.34	0.75	0.86
6	E	1789	1625	18.92	7.34	0.75	0.86
7	E	675	613	83.11	2.73	0.75	0.86
7	E	675	613	83.11	2.73	0.75	0.86
8	E	222	202	19.09	3.95	0.75	0.86
8	E	222	202	19.09	3.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-2.016
Cl2	0.000	0.000	1.256
H3	0.000	0.933	-2.398
H4	0.808	-0.466	-2.398
H5	-0.808	-0.466	-2.398
H6	0.000	0.000	-0.046

	N1	Cl2	H3	H4	H5	H6
N1		3.2714	1.0080	1.0080	1.0080	1.9695
Cl2	3.2714		3.7709	3.7709	3.7709	1.3019
H3	1.0080	3.7709		1.6154	1.6154	2.5301
H4	1.0080	3.7709	1.6154		1.6154	2.5301
H5	1.0080	3.7709	1.6154	1.6154		2.5301
H6	1.9695	1.3019	2.5301	2.5301	2.5301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.507
H3	N1	H5	106.507	H3	N1	H6	112.294
H4	N1	H5	106.507	H4	N1	H6	112.294
H5	N1	H6	112.294

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

using model chemistry: HF/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	-0.255
2	Cl	-0.290
3	H	0.109
4	H	0.109
5	H	0.109
6	H	0.218

	x	y	z	Total
	0.000	0.000	-4.492	4.492
CHELPG
AIM
ESP

<r²>	86.405
(<r²>)^1/2	9.295

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

using model chemistry: HF/cc-pVDZ

States and conformations

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