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	hartrees
Energy at 0K	-517.212599
Energy at 298.15K
HF Energy	-517.212599
Nuclear repulsion energy	50.119346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3509	3369	2.65
2	A₁	2019	1938	2535.35
3	A₁	1125	1080	133.29
4	A₁	217	209	52.15
5	E	3642	3496	22.50
5	E	3642	3496	22.49
6	E	1664	1598	30.09
6	E	1664	1598	30.09
7	E	913	876	56.87
7	E	913	876	56.87
8	E	268	257	16.75
8	E	268	257	16.76

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.849
Cl2	0.000	0.000	1.163
H3	0.000	0.947	-2.207
H4	0.820	-0.474	-2.207
H5	-0.820	-0.474	-2.207
H6	0.000	0.000	-0.200

	N1	Cl2	H3	H4	H5	H6
N1		3.0119	1.0129	1.0129	1.0129	1.6495
Cl2	3.0119		3.5008	3.5008	3.5008	1.3624
H3	1.0129	3.5008		1.6410	1.6410	2.2200
H4	1.0129	3.5008	1.6410		1.6410	2.2200
H5	1.0129	3.5008	1.6410	1.6410		2.2200
H6	1.6495	1.3624	2.2200	2.2200	2.2200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.202
H3	N1	H5	108.202	H3	N1	H6	110.713
H4	N1	H5	108.202	H4	N1	H6	110.713
H5	N1	H6	110.713

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

using model chemistry: HSEh1PBE/TZVP

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	-0.622
2	Cl	-0.359
3	H	0.242
4	H	0.242
5	H	0.242
6	H	0.256

	x	y	z	Total
	0.000	0.000	-5.408	5.408
CHELPG
AIM
ESP

<r²>	75.828
(<r²>)^1/2	8.708

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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