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	hartrees
Energy at 0K	-517.168656
Energy at 298.15K
HF Energy	-517.057773
Nuclear repulsion energy	49.337256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3471	3324	2.22
2	A₁	2283	2187	2026.53
3	A₁	1150	1101	76.33
4	A₁	212	203	30.53
5	E	3602	3449	12.13
5	E	3602	3449	12.13
6	E	1667	1596	15.90
6	E	1667	1596	15.90
7	E	839	804	56.41
7	E	839	804	56.41
8	E	239	229	19.05
8	E	239	229	19.05

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.887
Cl2	0.000	0.000	1.188
H3	0.000	0.944	-2.279
H4	0.818	-0.472	-2.279
H5	-0.818	-0.472	-2.279
H6	0.000	0.000	-0.157

	N1	Cl2	H3	H4	H5	H6
N1		3.0757	1.0220	1.0220	1.0220	1.7297
Cl2	3.0757		3.5936	3.5936	3.5936	1.3460
H3	1.0220	3.5936		1.6351	1.6351	2.3220
H4	1.0220	3.5936	1.6351		1.6351	2.3220
H5	1.0220	3.5936	1.6351	1.6351		2.3220
H6	1.7297	1.3460	2.3220	2.3220	2.3220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.240
H3	N1	H5	106.240	H3	N1	H6	112.536
H4	N1	H5	106.240	H4	N1	H6	112.536
H5	N1	H6	112.536

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

using model chemistry: B2PLYP/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	-0.190
2	Cl	-0.334
3	H	0.110
4	H	0.110
5	H	0.110
6	H	0.195

	x	y	z	Total
	0.000	0.000	-5.182	5.182
CHELPG
AIM
ESP

<r²>	78.515
(<r²>)^1/2	8.861

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

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