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	hartrees
Energy at 0K	-517.364901
Energy at 298.15K
HF Energy	-517.364901
Nuclear repulsion energy	49.854410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3513	3354	6.57
2	A₁	2083	1989	2191.63
3	A₁	1189	1135	99.47
4	A₁	232	221	37.60
5	E	3654	3489	17.35
5	E	3654	3489	17.35
6	E	1714	1637	28.50
6	E	1714	1637	28.50
7	E	887	847	88.43
7	E	887	847	88.43
8	E	282	269	18.35
8	E	282	269	18.35

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.863
Cl2	0.000	0.000	1.172
H3	0.000	0.945	-2.233
H4	0.819	-0.473	-2.233
H5	-0.819	-0.473	-2.233
H6	0.000	0.000	-0.183

	N1	Cl2	H3	H4	H5	H6
N1		3.0353	1.0147	1.0147	1.0147	1.6806
Cl2	3.0353		3.5333	3.5333	3.5333	1.3547
H3	1.0147	3.5333		1.6370	1.6370	2.2572
H4	1.0147	3.5333	1.6370		1.6370	2.2572
H5	1.0147	3.5333	1.6370	1.6370		2.2572
H6	1.6806	1.3547	2.2572	2.2572	2.2572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.542
H3	N1	H5	107.542	H3	N1	H6	111.338
H4	N1	H5	107.542	H4	N1	H6	111.338
H5	N1	H6	111.338

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

using model chemistry: B1B95/6-31G**

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	-0.941
2	Cl	-0.366
3	H	0.353
4	H	0.353
5	H	0.353
6	H	0.250

	x	y	z	Total
	0.000	0.000	-5.578	5.578
CHELPG
AIM
ESP

<r²>	76.614
(<r²>)^1/2	8.753

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

using model chemistry: B1B95/6-31G**

States and conformations

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