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	hartrees
Energy at 0K	-516.802329
Energy at 298.15K
HF Energy	-516.328889
Nuclear repulsion energy	48.532329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3522	3522	0.29
2	A₁	2625	2625	1213.85
3	A₁	1140	1140	134.87
4	A₁	165	165	14.48
5	E	3650	3650	12.47
5	E	3650	3650	12.47
6	E	1693	1693	19.41
6	E	1693	1693	19.41
7	E	691	691	45.05
7	E	691	691	45.05
8	E	207	207	20.58
8	E	207	207	20.58

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.966
Cl2	0.000	0.000	1.227
H3	0.000	0.938	-2.341
H4	0.812	-0.469	-2.341
H5	-0.812	-0.469	-2.341
H6	0.000	0.000	-0.074

	N1	Cl2	H3	H4	H5	H6
N1		3.1924	1.0107	1.0107	1.0107	1.8913
Cl2	3.1924		3.6896	3.6896	3.6896	1.3011
H3	1.0107	3.6896		1.6249	1.6249	2.4537
H4	1.0107	3.6896	1.6249		1.6249	2.4537
H5	1.0107	3.6896	1.6249	1.6249		2.4537
H6	1.8913	1.3011	2.4537	2.4537	2.4537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.004
H3	N1	H5	107.004	H3	N1	H6	111.839
H4	N1	H5	107.004	H4	N1	H6	111.839
H5	N1	H6	111.839

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

using model chemistry: CCD/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: CCD/Def2TZVPP

States and conformations

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