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	hartrees
Energy at 0K	-516.301380
Energy at 298.15K
HF Energy	-516.301380
Nuclear repulsion energy	48.363898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3716	3361	2.31	98.30	0.04	0.08
2	A₁	2668	2413	1022.93	415.15	0.40	0.58
3	A₁	1273	1151	208.27	0.20	0.75	0.86
4	A₁	182	164	10.61	0.88	0.33	0.49
5	E	3833	3466	6.25	59.34	0.75	0.86
5	E	3833	3466	6.25	59.34	0.75	0.86
6	E	1867	1689	35.72	7.42	0.75	0.86
6	E	1867	1689	35.72	7.42	0.75	0.86
7	E	718	650	104.23	3.67	0.75	0.86
7	E	718	650	104.23	3.67	0.75	0.86
8	E	251	227	18.71	3.66	0.75	0.86
8	E	251	227	18.71	3.66	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.990
Cl2	0.000	0.000	1.238
H3	0.000	0.932	-2.352
H4	0.807	-0.466	-2.352
H5	-0.807	-0.466	-2.352
H6	0.000	0.000	-0.063

	N1	Cl2	H3	H4	H5	H6
N1		3.2282	0.9996	0.9996	0.9996	1.9274
Cl2	3.2282		3.7091	3.7091	3.7091	1.3008
H3	0.9996	3.7091		1.6139	1.6139	2.4718
H4	0.9996	3.7091	1.6139		1.6139	2.4718
H5	0.9996	3.7091	1.6139	1.6139		2.4718
H6	1.9274	1.3008	2.4718	2.4718	2.4718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.657
H3	N1	H5	107.657	H3	N1	H6	111.230
H4	N1	H5	107.657	H4	N1	H6	111.230
H5	N1	H6	111.230

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

using model chemistry: HF/6-311G*

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	-1.052
2	Cl	-0.395
3	H	0.369
4	H	0.369
5	H	0.369
6	H	0.342

	x	y	z	Total
	0.000	0.000	-4.719	4.719
CHELPG
AIM
ESP

<r²>	84.727
(<r²>)^1/2	9.205

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

using model chemistry: HF/6-311G*

States and conformations

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