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	hartrees
Energy at 0K	-516.329750
Energy at 298.15K
HF Energy	-516.329750
Nuclear repulsion energy	47.362699

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	3689	3344	0.53	113.70	0.02	0.04
2	A₁	2861	2593	786.93	282.62	0.35	0.52
3	A₁	1172	1062	188.72	0.55	0.46	0.63
4	A₁	135	122	6.96	0.45	0.39	0.56
5	E	3812	3455	12.56	45.41	0.75	0.86
5	E	3812	3455	12.56	45.41	0.75	0.86
6	E	1789	1621	22.89	3.51	0.75	0.86
6	E	1789	1621	22.89	3.51	0.75	0.86
7	E	591	535	62.05	1.80	0.75	0.86
7	E	591	535	62.05	1.80	0.75	0.86
8	E	195	177	18.48	1.25	0.75	0.86
8	E	195	177	18.48	1.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-2.070
Cl2	0.000	0.000	1.281
H3	0.000	0.933	-2.428
H4	0.808	-0.466	-2.428
H5	-0.808	-0.466	-2.428
H6	0.000	0.000	-0.003

	N1	Cl2	H3	H4	H5	H6
N1		3.3514	0.9990	0.9990	0.9990	2.0676
Cl2	3.3514		3.8242	3.8242	3.8242	1.2838
H3	0.9990	3.8242		1.6159	1.6159	2.5982
H4	0.9990	3.8242	1.6159		1.6159	2.5982
H5	0.9990	3.8242	1.6159	1.6159		2.5982
H6	2.0676	1.2838	2.5982	2.5982	2.5982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.948
H3	N1	H5	107.948	H3	N1	H6	110.955
H4	N1	H5	107.948	H4	N1	H6	110.955
H5	N1	H6	110.955

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

using model chemistry: HF/Def2TZVPP

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	-0.497
2	Cl	-0.248
3	H	0.174
4	H	0.174
5	H	0.174
6	H	0.222

	x	y	z	Total
	0.000	0.000	-3.904	3.904
CHELPG
AIM
ESP

<r²>	89.717
(<r²>)^1/2	9.472

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

using model chemistry: HF/Def2TZVPP

States and conformations

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