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	hartrees
Energy at 0K	-516.275399
Energy at 298.15K
HF Energy	-516.275399
Nuclear repulsion energy	48.378711

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	3705	3344	3.95	106.93	0.04	0.07
2	A₁	2759	2490	1079.22	364.32	0.37	0.54
3	A₁	1217	1099	202.86	1.13	0.02	0.04
4	A₁	179	162	10.42	0.47	0.41	0.59
5	E	3842	3468	11.31	58.81	0.75	0.86
5	E	3842	3468	11.31	58.81	0.75	0.86
6	E	1805	1629	27.63	9.94	0.75	0.86
6	E	1805	1629	27.63	9.94	0.75	0.86
7	E	702	634	98.87	1.60	0.75	0.86
7	E	702	634	98.87	1.60	0.75	0.86
8	E	244	221	21.56	5.25	0.75	0.86
8	E	244	221	21.56	5.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.990
Cl2	0.000	0.000	1.237
H3	0.000	0.935	-2.350
H4	0.809	-0.467	-2.350
H5	-0.809	-0.467	-2.350
H6	0.000	0.000	-0.057

	N1	Cl2	H3	H4	H5	H6
N1		3.2275	1.0014	1.0014	1.0014	1.9335
Cl2	3.2275		3.7068	3.7068	3.7068	1.2940
H3	1.0014	3.7068		1.6189	1.6189	2.4762
H4	1.0014	3.7068	1.6189		1.6189	2.4762
H5	1.0014	3.7068	1.6189	1.6189		2.4762
H6	1.9335	1.2940	2.4762	2.4762	2.4762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.858
H3	N1	H5	107.858	H3	N1	H6	111.040
H4	N1	H5	107.858	H4	N1	H6	111.040
H5	N1	H6	111.040

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

using model chemistry: HF/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	-0.821
2	Cl	-0.282
3	H	0.291
4	H	0.291
5	H	0.291
6	H	0.230

	x	y	z	Total
	0.000	0.000	-4.615	4.615
CHELPG
AIM
ESP

<r²>	84.352
(<r²>)^1/2	9.184

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

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

States and conformations

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