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	hartrees
Energy at 0K	-517.155820
Energy at 298.15K
HF Energy	-517.155820
Nuclear repulsion energy	50.144533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3407	3379	0.16
2	A₁	1855	1840	2753.24
3	A₁	1086	1077	70.34
4	A₁	221	219	62.06
5	E	3532	3503	21.34
5	E	3532	3503	21.34
6	E	1611	1598	24.13
6	E	1611	1598	24.13
7	E	925	917	22.66
7	E	925	917	22.66
8	E	268	266	12.48
8	E	268	266	12.47

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.836
Cl2	0.000	0.000	1.158
H3	0.000	0.953	-2.202
H4	0.826	-0.477	-2.202
H5	-0.826	-0.477	-2.202
H6	0.000	0.000	-0.221

	N1	Cl2	H3	H4	H5	H6
N1		2.9941	1.0210	1.0210	1.0210	1.6151
Cl2	2.9941		3.4925	3.4925	3.4925	1.3789
H3	1.0210	3.4925		1.6510	1.6510	2.1984
H4	1.0210	3.4925	1.6510		1.6510	2.1984
H5	1.0210	3.4925	1.6510	1.6510		2.1984
H6	1.6151	1.3789	2.1984	2.1984	2.1984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.901
H3	N1	H5	107.901	H3	N1	H6	110.999
H4	N1	H5	107.901	H4	N1	H6	110.999
H5	N1	H6	110.999

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

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	-0.480
2	Cl	-0.482
3	H	0.185
4	H	0.185
5	H	0.185
6	H	0.407

	x	y	z	Total
	0.000	0.000	-5.194	5.194
CHELPG
AIM
ESP

<r²>	75.531
(<r²>)^1/2	8.691

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

States and conformations

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