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	hartrees
Energy at 0K	-517.356705
Energy at 298.15K
HF Energy	-517.356705
Nuclear repulsion energy	50.231815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3509	3509	6.21
2	A₁	1960	1960	2939.64
3	A₁	1156	1156	120.93
4	A₁	209	209	74.33
5	E	3637	3637	27.56
5	E	3637	3637	27.49
6	E	1669	1669	28.79
6	E	1668	1668	28.70
7	E	913	913	65.73
7	E	913	913	65.77
8	E	300	300	13.37
8	E	300	300	13.37

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.840
Cl2	0.000	0.000	1.158
H3	0.000	0.948	-2.203
H4	0.821	-0.474	-2.203
H5	-0.821	-0.474	-2.203
H6	0.000	0.000	-0.204

	N1	Cl2	H3	H4	H5	H6
N1		2.9988	1.0145	1.0145	1.0145	1.6361
Cl2	2.9988		3.4920	3.4920	3.4920	1.3628
H3	1.0145	3.4920		1.6414	1.6414	2.2116
H4	1.0145	3.4920	1.6414		1.6414	2.2116
H5	1.0145	3.4920	1.6414	1.6414		2.2116
H6	1.6361	1.3628	2.2116	2.2116	2.2116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.988
H3	N1	H5	107.988	H3	N1	H6	110.916
H4	N1	H5	107.988	H4	N1	H6	110.916
H5	N1	H6	110.916

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

using model chemistry: M06-2X/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	-0.636
2	Cl	-0.372
3	H	0.256
4	H	0.256
5	H	0.256
6	H	0.240

	x	y	z	Total
	0.000	0.000	-5.617	5.617
CHELPG
AIM
ESP

	x	y	z
x	2.476	0.000	0.000
y	0.000	2.474	0.001
z	0.000	0.001	5.020

<r²>	75.598
(<r²>)^1/2	8.695

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

using model chemistry: M06-2X/6-311G**

States and conformations

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