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	hartrees
Energy at 0K	-517.205332
Energy at 298.15K
HF Energy	-517.205332
Nuclear repulsion energy	50.299888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3508	3508	1.05
2	A₁	1966	1966	2706.59
3	A₁	1116	1116	109.90
4	A₁	209	209	62.44
5	E	3638	3638	25.17
5	E	3638	3638	25.17
6	E	1656	1656	24.31
6	E	1656	1656	24.31
7	E	917	917	25.68
7	E	917	917	25.67
8	E	269	269	12.56
8	E	269	269	12.56

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.839
Cl2	0.000	0.000	1.157
H3	0.000	0.946	-2.198
H4	0.819	-0.473	-2.198
H5	-0.819	-0.473	-2.198
H6	0.000	0.000	-0.206

	N1	Cl2	H3	H4	H5	H6
N1		2.9956	1.0122	1.0122	1.0122	1.6329
Cl2	2.9956		3.4861	3.4861	3.4861	1.3628
H3	1.0122	3.4861		1.6388	1.6388	2.2057
H4	1.0122	3.4861	1.6388		1.6388	2.2057
H5	1.0122	3.4861	1.6388	1.6388		2.2057
H6	1.6329	1.3628	2.2057	2.2057	2.2057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	108.100
H3	N1	H5	108.100	H3	N1	H6	110.810
H4	N1	H5	108.100	H4	N1	H6	110.810
H5	N1	H6	110.810

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

using model chemistry: PBE1PBE/daug-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	-0.064
2	Cl	-0.794
3	H	0.125
4	H	0.125
5	H	0.125
6	H	0.482

	x	y	z	Total
	0.000	0.000	-5.054	5.054
CHELPG
AIM
ESP

<r²>	75.326
(<r²>)^1/2	8.679

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

using model chemistry: PBE1PBE/daug-cc-pVTZ

States and conformations

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