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	hartrees
Energy at 0K	-514.905681
Energy at 298.15K
HF Energy	-514.905681
Nuclear repulsion energy	51.377897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3402	3222	14.68
2	A₁	1467	1390	3154.75
3	A₁	1211	1147	443.64
4	A₁	401	380	58.52
5	E	3546	3359	43.86
5	E	3546	3359	43.92
6	E	1722	1631	35.57
6	E	1722	1631	35.44
7	E	1274	1207	102.06
7	E	1274	1207	102.01
8	E	369	350	9.67
8	E	369	350	9.75

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.760
Cl2	0.000	0.000	1.112
H3	0.000	0.975	-2.077
H4	0.844	-0.487	-2.077
H5	-0.844	-0.487	-2.077
H6	0.000	0.000	-0.352

	N1	Cl2	H3	H4	H5	H6
N1		2.8721	1.0251	1.0251	1.0251	1.4085
Cl2	2.8721		3.3344	3.3344	3.3344	1.4636
H3	1.0251	3.3344		1.6887	1.6887	1.9815
H4	1.0251	3.3344	1.6887		1.6887	1.9815
H5	1.0251	3.3344	1.6887	1.6887		1.9815
H6	1.4085	1.4636	1.9815	1.9815	1.9815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	110.912
H3	N1	H5	110.912	H3	N1	H6	107.989
H4	N1	H5	110.912	H4	N1	H6	107.989
H5	N1	H6	107.989

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

using model chemistry: M06-2X/3-21G*

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	-0.806
2	Cl	-0.525
3	H	0.343
4	H	0.343
5	H	0.343
6	H	0.301

	x	y	z	Total
	0.000	0.000	-7.280	7.280
CHELPG
AIM
ESP

	x	y	z
x	1.957	0.000	0.000
y	0.000	1.958	-0.001
z	0.000	-0.001	4.109

<r²>	69.890
(<r²>)^1/2	8.360

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

using model chemistry: M06-2X/3-21G*

States and conformations

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