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	hartrees
Energy at 0K	-517.214783
Energy at 298.15K
HF Energy	-517.085577
Nuclear repulsion energy	49.361359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3495	3495	1.11
2	A₁	2278	2278	1901.04
3	A₁	1141	1141	141.60
4	A₁	196	196	29.15
5	E	3625	3625	14.87
5	E	3625	3625	14.87
6	E	1670	1670	26.75
6	E	1670	1670	26.75
7	E	816	816	63.59
7	E	816	816	63.59
8	E	246	246	17.43
8	E	246	246	17.43

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.901
Cl2	0.000	0.000	1.191
H3	0.000	0.945	-2.267
H4	0.818	-0.472	-2.267
H5	-0.818	-0.472	-2.267
H6	0.000	0.000	-0.145

	N1	Cl2	H3	H4	H5	H6
N1		3.0919	1.0131	1.0131	1.0131	1.7561
Cl2	3.0919		3.5847	3.5847	3.5847	1.3359
H3	1.0131	3.5847		1.6362	1.6362	2.3229
H4	1.0131	3.5847	1.6362		1.6362	2.3229
H5	1.0131	3.5847	1.6362	1.6362		2.3229
H6	1.7561	1.3359	2.3229	2.3229	2.3229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.710
H3	N1	H5	107.710	H3	N1	H6	111.180
H4	N1	H5	107.710	H4	N1	H6	111.180
H5	N1	H6	111.180

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

using model chemistry: B2PLYP=FULLultrafine/TZVP

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=FULLultrafine/TZVP

States and conformations

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