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	hartrees
Energy at 0K	-511.608050
Energy at 298.15K
HF Energy	-511.608050
Nuclear repulsion energy	51.468682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3606	3606	2.17
2	A₁	2288	2288	3476.78
3	A₁	1328	1328	23.94
4	A₁	472	472	19.09
5	E	3855	3855	16.29
5	E	3855	3855	16.31
6	E	1835	1835	10.94
6	E	1835	1835	11.03
7	E	1266	1266	125.40
7	E	1266	1266	125.44
8	E	351	351	12.10
8	E	351	351	12.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.728
Cl2	0.000	0.000	1.105
H3	0.000	0.972	-2.115
H4	0.842	-0.486	-2.115
H5	-0.842	-0.486	-2.115
H6	0.000	0.000	-0.347

	N1	Cl2	H3	H4	H5	H6
N1		2.8338	1.0464	1.0464	1.0464	1.3811
Cl2	2.8338		3.3638	3.3638	3.3638	1.4527
H3	1.0464	3.3638		1.6844	1.6844	2.0174
H4	1.0464	3.3638	1.6844		1.6844	2.0174
H5	1.0464	3.3638	1.6844	1.6844		2.0174
H6	1.3811	1.4527	2.0174	2.0174	2.0174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.190
H3	N1	H5	107.190	H3	N1	H6	111.666
H4	N1	H5	107.190	H4	N1	H6	111.666
H5	N1	H6	111.666

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

using model chemistry: M06-2X/STO-3G

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	-0.417
2	Cl	-0.491
3	H	0.229
4	H	0.229
5	H	0.229
6	H	0.222

	x	y	z	Total
	0.000	0.000	-7.488	7.488
CHELPG
AIM
ESP

<r²>	68.099
(<r²>)^1/2	8.252

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

using model chemistry: M06-2X/STO-3G

States and conformations

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