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	hartrees
Energy at 0K	-517.440405
Energy at 298.15K
HF Energy	-517.440405
Nuclear repulsion energy	49.853160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3455	3335	0.11
2	A₁	2038	1967	2487.14
3	A₁	1134	1095	86.98
4	A₁	217	209	46.78
5	E	3578	3454	16.02
5	E	3578	3454	16.03
6	E	1671	1612	21.01
6	E	1671	1612	21.00
7	E	881	850	25.90
7	E	881	850	25.90
8	E	264	255	12.81
8	E	264	255	12.81

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.863
Cl2	0.000	0.000	1.171
H3	0.000	0.947	-2.229
H4	0.820	-0.473	-2.229
H5	-0.820	-0.473	-2.229
H6	0.000	0.000	-0.188

	N1	Cl2	H3	H4	H5	H6
N1		3.0340	1.0152	1.0152	1.0152	1.6751
Cl2	3.0340		3.5295	3.5295	3.5295	1.3589
H3	1.0152	3.5295		1.6401	1.6401	2.2502
H4	1.0152	3.5295	1.6401		1.6401	2.2502
H5	1.0152	3.5295	1.6401	1.6401		2.2502
H6	1.6751	1.3589	2.2502	2.2502	2.2502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.755
H3	N1	H5	107.755	H3	N1	H6	111.138
H4	N1	H5	107.755	H4	N1	H6	111.138
H5	N1	H6	111.138

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

using model chemistry: TPSSh/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	0.028
2	Cl	-0.353
3	H	0.033
4	H	0.033
5	H	0.033
6	H	0.226

	x	y	z	Total
	0.000	0.000	-4.922	4.922
CHELPG
AIM
ESP

<r²>	76.917
(<r²>)^1/2	8.770

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

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

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