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	hartrees
Energy at 0K	-517.291206
Energy at 298.15K
HF Energy	-517.093732
Nuclear repulsion energy	49.286778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3497	3497	0.80
2	A₁	2332	2332	1823.69
3	A₁	1116	1116	123.78
4	A₁	183	183	26.68
5	E	3626	3626	16.51
5	E	3626	3626	16.51
6	E	1675	1675	21.90
6	E	1675	1675	21.90
7	E	784	784	38.48
7	E	784	784	38.48
8	E	230	230	18.28
8	E	230	230	18.28

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.910
Cl2	0.000	0.000	1.196
H3	0.000	0.943	-2.276
H4	0.816	-0.471	-2.276
H5	-0.816	-0.471	-2.276
H6	0.000	0.000	-0.128

	N1	Cl2	H3	H4	H5	H6
N1		3.1061	1.0112	1.0113	1.0113	1.7822
Cl2	3.1061		3.5978	3.5978	3.5978	1.3239
H3	1.0112	3.5978		1.6328	1.6328	2.3460
H4	1.0113	3.5978	1.6328		1.6328	2.3460
H5	1.0113	3.5978	1.6328	1.6328		2.3460
H6	1.7822	1.3239	2.3460	2.3460	2.3460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.666
H3	N1	H5	107.666	H3	N1	H6	111.221
H4	N1	H5	107.666	H4	N1	H6	111.221
H5	N1	H6	111.221

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for NH4Cl (Ammonium chloride)

using model chemistry: B2PLYP=FULL/Def2TZVPP

States and conformations

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