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	hartrees
Energy at 0K	-517.265038
Energy at 298.15K
HF Energy	-517.101360
Nuclear repulsion energy	49.528144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3495	3352	0.14
2	A₁	2242	2151	2076.60
3	A₁	1117	1071	124.80
4	A₁	191	183	33.68
5	E	3619	3471	19.21
5	E	3619	3471	19.21
6	E	1670	1601	21.42
6	E	1670	1601	21.42
7	E	823	789	28.44
7	E	823	789	28.44
8	E	248	238	14.75
8	E	248	238	14.75

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.892
Cl2	0.000	0.000	1.186
H3	0.000	0.944	-2.257
H4	0.817	-0.472	-2.257
H5	-0.817	-0.472	-2.257
H6	0.000	0.000	-0.147

	N1	Cl2	H3	H4	H5	H6
N1		3.0784	1.0117	1.0117	1.0117	1.7451
Cl2	3.0784		3.5702	3.5702	3.5702	1.3333
H3	1.0117	3.5702		1.6343	1.6343	2.3113
H4	1.0117	3.5702	1.6343		1.6343	2.3113
H5	1.0117	3.5702	1.6343	1.6343		2.3113
H6	1.7451	1.3333	2.3113	2.3113	2.3113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.752
H3	N1	H5	107.752	H3	N1	H6	111.140
H4	N1	H5	107.752	H4	N1	H6	111.140
H5	N1	H6	111.140

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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