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	hartrees
Energy at 0K	-517.397517
Energy at 298.15K
HF Energy	-517.397517
Nuclear repulsion energy	49.324595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3369	3358	0.00
2	A₁	1987	1980	2327.85
3	A₁	1086	1082	81.81
4	A₁	196	195	42.32
5	E	3485	3473	15.09
5	E	3485	3473	15.09
6	E	1622	1617	20.92
6	E	1622	1617	20.92
7	E	833	830	23.33
7	E	833	830	23.33
8	E	251	250	12.08
8	E	251	250	12.08

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.889
Cl2	0.000	0.000	1.186
H3	0.000	0.953	-2.256
H4	0.825	-0.477	-2.256
H5	-0.825	-0.477	-2.256
H6	0.000	0.000	-0.180

	N1	Cl2	H3	H4	H5	H6
N1		3.0752	1.0212	1.0212	1.0212	1.7092
Cl2	3.0752		3.5716	3.5716	3.5716	1.3661
H3	1.0212	3.5716		1.6507	1.6507	2.2844
H4	1.0212	3.5716	1.6507		1.6507	2.2844
H5	1.0212	3.5716	1.6507	1.6507		2.2844
H6	1.7092	1.3661	2.2844	2.2844	2.2844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.841
H3	N1	H5	107.841	H3	N1	H6	111.056
H4	N1	H5	107.841	H4	N1	H6	111.056
H5	N1	H6	111.056

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

using model chemistry: BLYP/aug-cc-pVTZ

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	-0.169
2	Cl	-0.310
3	H	0.095
4	H	0.095
5	H	0.095
6	H	0.194

	x	y	z	Total
	0.000	0.000	-4.837	4.837
CHELPG
AIM
ESP

<r²>	78.863
(<r²>)^1/2	8.880

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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