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	hartrees
Energy at 0K	-517.182573
Energy at 298.15K
HF Energy	-517.041396
Nuclear repulsion energy	49.806510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3511	3511	4.28
2	A₁	2174	2174	2273.27
3	A₁	1146	1146	92.07
4	A₁	205	205	40.26
5	E	3645	3645	18.79
5	E	3645	3645	18.79
6	E	1685	1685	21.97
6	E	1685	1685	21.97
7	E	860	860	54.73
7	E	860	860	54.73
8	E	252	252	15.33
8	E	252	252	15.33

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.870
Cl2	0.000	0.000	1.175
H3	0.000	0.944	-2.240
H4	0.817	-0.472	-2.240
H5	-0.817	-0.472	-2.240
H6	0.000	0.000	-0.166

	N1	Cl2	H3	H4	H5	H6
N1		3.0456	1.0134	1.0134	1.0134	1.7043
Cl2	3.0456		3.5434	3.5434	3.5434	1.3413
H3	1.0134	3.5434		1.6343	1.6343	2.2787
H4	1.0134	3.5434	1.6343		1.6343	2.2787
H5	1.0134	3.5434	1.6343	1.6343		2.2787
H6	1.7043	1.3413	2.2787	2.2787	2.2787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.472
H3	N1	H5	107.472	H3	N1	H6	111.403
H4	N1	H5	107.472	H4	N1	H6	111.403
H5	N1	H6	111.403

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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