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	hartrees
Energy at 0K	-517.347124
Energy at 298.15K
HF Energy	-517.347124
Nuclear repulsion energy	49.821404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3529	3529	4.65
2	A₁	2111	2111	2336.02
3	A₁	1125	1125	108.87
4	A₁	215	215	42.28
5	E	3666	3666	20.76
5	E	3666	3666	20.81
6	E	1668	1668	24.17
6	E	1668	1668	24.19
7	E	851	851	55.96
7	E	851	851	55.95
8	E	243	243	14.19
8	E	243	243	14.19

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.869
Cl2	0.000	0.000	1.174
H3	0.000	0.946	-2.233
H4	0.819	-0.473	-2.233
H5	-0.819	-0.473	-2.233
H6	0.000	0.000	-0.173

	N1	Cl2	H3	H4	H5	H6
N1		3.0428	1.0137	1.0137	1.0137	1.6956
Cl2	3.0428		3.5358	3.5358	3.5358	1.3472
H3	1.0137	3.5358		1.6387	1.6387	2.2666
H4	1.0137	3.5358	1.6387		1.6388	2.2666
H5	1.0137	3.5358	1.6387	1.6388		2.2666
H6	1.6956	1.3472	2.2666	2.2666	2.2666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.854
H3	N1	H5	107.854	H3	N1	H6	111.044
H4	N1	H5	107.854	H4	N1	H6	111.044
H5	N1	H6	111.044

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	N	-0.771
2	Cl	-0.441
3	H	0.292
4	H	0.292
5	H	0.292
6	H	0.335

	x	y	z	Total
	0.000	0.000	-5.171	5.171
CHELPG
AIM
ESP

<r²>	76.823
(<r²>)^1/2	8.765

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

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