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	hartrees
Energy at 0K	-517.393788
Energy at 298.15K
HF Energy	-517.393788
Nuclear repulsion energy	49.245485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3370	3360	0.15
2	A₁	2039	2033	2121.73
3	A₁	1089	1086	70.46
4	A₁	202	201	35.17
5	E	3487	3477	11.26
5	E	3487	3477	11.26
6	E	1628	1623	20.68
6	E	1628	1623	20.68
7	E	827	824	31.83
7	E	827	824	31.83
8	E	244	243	15.68
8	E	244	243	15.68

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.894
Cl2	0.000	0.000	1.190
H3	0.000	0.952	-2.264
H4	0.825	-0.476	-2.264
H5	-0.825	-0.476	-2.264
H6	0.000	0.000	-0.173

	N1	Cl2	H3	H4	H5	H6
N1		3.0836	1.0213	1.0213	1.0213	1.7212
Cl2	3.0836		3.5821	3.5821	3.5821	1.3624
H3	1.0213	3.5821		1.6490	1.6490	2.2974
H4	1.0213	3.5821	1.6490		1.6490	2.2974
H5	1.0213	3.5821	1.6490	1.6490		2.2974
H6	1.7212	1.3624	2.2974	2.2974	2.2974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.671
H3	N1	H5	107.671	H3	N1	H6	111.217
H4	N1	H5	107.671	H4	N1	H6	111.217
H5	N1	H6	111.217

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

using model chemistry: BLYP/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	-0.343
2	Cl	-0.337
3	H	0.163
4	H	0.163
5	H	0.163
6	H	0.191

	x	y	z	Total
	0.000	0.000	-5.004	5.004
CHELPG
AIM
ESP

<r²>	78.921
(<r²>)^1/2	8.884

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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