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	hartrees
Energy at 0K	-517.382036
Energy at 298.15K
HF Energy	-517.382036
Nuclear repulsion energy	49.692511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3377	3348	1.06
2	A₁	2034	2017	2382.05
3	A₁	1110	1101	37.43
4	A₁	236	234	38.91
5	E	3511	3481	11.18
5	E	3511	3481	11.18
6	E	1629	1615	14.60
6	E	1629	1615	14.60
7	E	878	871	46.25
7	E	878	871	46.25
8	E	235	233	17.17
8	E	235	233	17.18

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.856
Cl2	0.000	0.000	1.173
H3	0.000	0.948	-2.247
H4	0.821	-0.474	-2.247
H5	-0.821	-0.474	-2.247
H6	0.000	0.000	-0.199

	N1	Cl2	H3	H4	H5	H6
N1		3.0287	1.0260	1.0260	1.0260	1.6573
Cl2	3.0287		3.5489	3.5489	3.5489	1.3714
H3	1.0260	3.5489		1.6428	1.6428	2.2573
H4	1.0260	3.5489	1.6428		1.6428	2.2573
H5	1.0260	3.5489	1.6428	1.6428		2.2573
H6	1.6573	1.3714	2.2573	2.2573	2.2573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.380
H3	N1	H5	106.380	H3	N1	H6	112.409
H4	N1	H5	106.380	H4	N1	H6	112.409
H5	N1	H6	112.409

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

using model chemistry: B97D3/cc-pVDZ

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	-0.138
2	Cl	-0.360
3	H	0.104
4	H	0.104
5	H	0.104
6	H	0.185

	x	y	z	Total
	0.000	0.000	-5.505	5.505
CHELPG
AIM
ESP

<r²>	76.534
(<r²>)^1/2	8.748

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

using model chemistry: B97D3/cc-pVDZ

States and conformations

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