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	hartrees
Energy at 0K	-511.333052
Energy at 298.15K
HF Energy	-511.308742
Nuclear repulsion energy	51.134249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3586	3586	0.34
2	A₁	2283	2283	3552.21
3	A₁	1361	1361	3.12
4	A₁	445	445	35.82
5	E	3842	3842	5.67
5	E	3842	3842	5.67
6	E	1864	1864	8.31
6	E	1864	1864	8.31
7	E	1304	1304	113.22
7	E	1304	1304	113.22
8	E	392	392	19.00
8	E	392	392	19.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.742
Cl2	0.000	0.000	1.115
H3	0.000	0.970	-2.143
H4	0.840	-0.485	-2.143
H5	-0.840	-0.485	-2.143
H6	0.000	0.000	-0.331

	N1	Cl2	H3	H4	H5	H6
N1		2.8563	1.0501	1.0501	1.0501	1.4106
Cl2	2.8563		3.3992	3.3992	3.3992	1.4457
H3	1.0501	3.3992		1.6806	1.6806	2.0556
H4	1.0501	3.3992	1.6806		1.6806	2.0556
H5	1.0501	3.3992	1.6806	1.6806		2.0556
H6	1.4106	1.4457	2.0556	2.0556	2.0556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.302
H3	N1	H5	106.302	H3	N1	H6	112.480
H4	N1	H5	106.302	H4	N1	H6	112.480
H5	N1	H6	112.480

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

using model chemistry: B2PLYP/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	-0.399
2	Cl	-0.466
3	H	0.217
4	H	0.217
5	H	0.217
6	H	0.213

	x	y	z	Total
	0.000	0.000	-7.250	7.250
CHELPG
AIM
ESP

<r²>	69.141
(<r²>)^1/2	8.315

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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