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	hartrees
Energy at 0K	-517.381851
Energy at 298.15K
HF Energy	-517.381851
Nuclear repulsion energy	49.580298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3371	3358	1.02
2	A₁	1871	1863	2502.01
3	A₁	1112	1108	65.37
4	A₁	220	220	50.46
5	E	3489	3476	10.61
5	E	3489	3476	10.61
6	E	1632	1626	24.09
6	E	1632	1626	24.09
7	E	910	906	50.62
7	E	910	906	50.62
8	E	280	279	14.83
8	E	280	279	14.83

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.867
Cl2	0.000	0.000	1.175
H3	0.000	0.955	-2.235
H4	0.827	-0.478	-2.235
H5	-0.827	-0.478	-2.235
H6	0.000	0.000	-0.208

	N1	Cl2	H3	H4	H5	H6
N1		3.0421	1.0237	1.0237	1.0237	1.6587
Cl2	3.0421		3.5414	3.5414	3.5414	1.3834
H3	1.0237	3.5414		1.6545	1.6545	2.2406
H4	1.0237	3.5414	1.6545		1.6545	2.2406
H5	1.0237	3.5414	1.6545	1.6545		2.2406
H6	1.6587	1.3834	2.2406	2.2406	2.2406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	107.823
H3	N1	H5	107.823	H3	N1	H6	111.073
H4	N1	H5	107.823	H4	N1	H6	111.073
H5	N1	H6	111.073

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

using model chemistry: BLYP/6-311G**

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	-0.522
2	Cl	-0.368
3	H	0.228
4	H	0.228
5	H	0.228
6	H	0.206

	x	y	z	Total
	0.000	0.000	-5.675	5.675
CHELPG
AIM
ESP

<r²>	77.501
(<r²>)^1/2	8.803

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

using model chemistry: BLYP/6-311G**

States and conformations

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