%chk=000184552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184552

0 1
Cl 5.155102 -3.503582 -0.001400
S 3.834297 2.552247 0.001338
O -5.954879 -1.854420 0.001687
O -0.633226 1.927584 0.001418
N 0.811729 0.091748 0.000030
N -1.528214 -0.224805 0.000038
N 2.160074 2.103552 0.000935
C 3.315234 0.020138 0.000144
C 2.041085 0.788072 0.000386
C 4.417073 0.906246 0.000583
C 3.530882 -1.363544 -0.000439
C 5.735559 0.445846 0.000326
C -2.922375 0.099977 -0.000047
C 4.850757 -1.807002 -0.000619
C 5.952425 -0.929280 -0.000283
C -0.475558 0.733253 0.000706
C -3.813733 -0.986958 0.001015
C -3.397363 1.423784 -0.001373
C -5.191447 -0.709624 0.000617
C -4.772703 1.653583 -0.001715
C -5.691770 0.600095 -0.000751
C -7.396634 -1.709304 0.001449
H 2.704491 -2.071327 -0.000696
H 0.882515 -0.925730 -0.000921
H 6.573504 1.143035 0.000536
H 6.967061 -1.332152 -0.000500
H -1.310948 -1.222579 0.000082
H -3.484429 -2.020544 0.002145
H -2.701246 2.267845 -0.001993
H -5.139403 2.682428 -0.002772
H -6.754750 0.804575 -0.001027
H -7.725989 -1.194324 -0.905459
H -7.726112 -1.192563 0.907311
H -7.727008 -2.756270 0.002448


%chk=000184552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184552

0 1
Cl 4.875811 -3.705024 -0.000978
S 4.022101 2.632654 0.000973
O -5.854042 -1.974600 0.001333
O -0.606253 2.165091 -0.000470
N 0.829151 0.286544 -0.000137
N -1.479865 -0.030954 0.000187
N 2.229967 2.250225 0.000624
C 3.300457 0.080144 0.000064
C 2.086159 0.912948 0.000182
C 4.476737 0.885887 0.000465
C 3.418076 -1.333903 -0.000381
C 5.764765 0.307025 0.000425
C -2.884505 0.214135 -0.000021
C 4.703986 -1.890676 -0.000412
C 5.878664 -1.097575 -0.000019
C -0.446592 0.921564 -0.000252
C -3.726039 -0.924151 0.000726
C -3.450440 1.519210 -0.000963
C -5.130398 -0.770467 0.000529
C -4.853130 1.644157 -0.001146
C -5.712044 0.521272 -0.000419
C -7.315738 -1.882951 0.001248
H 2.545687 -1.996223 -0.000697
H 0.859478 -0.733971 -0.000479
H 6.665835 0.927301 0.000727
H 6.861880 -1.576148 -0.000063
H -1.226080 -1.021104 0.000904
H -3.318712 -1.942133 0.001473
H -2.800393 2.394309 -0.001489
H -5.291996 2.648124 -0.001875
H -6.796343 0.660976 -0.000587
H -7.686869 -1.364093 -0.903809
H -7.686890 -1.362807 0.905557
H -7.668423 -2.924782 0.001983


