%chk=000112378.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112378

0 1
 Cl   9.427900      -1.122000      0.7215000    
 S    3.978800     -0.7824000       1.584300    
 O   -6.131100      -1.966900     -0.1788000    
 O   -7.911400     -0.8713000      0.8045000    
 N   -4.245000       1.185100     -0.2510000    
 N    1.311500      0.6299000     -0.6558000    
 N    3.887400      0.3238000     -0.7437000    
 N    1.805500      7.9700001E-02  0.3746000    
 C   -5.124000      0.1407000     -0.7384000    
 C   -4.823000       2.380700      0.3294000    
 C   -2.845100       1.045400     -0.3528000    
 C   -5.239000     -0.9663000      0.2958000    
 C   -4.792400       2.293600       1.843100    
 C   -2.298300     -0.1092000     -0.9129000    
 C   -2.007300       2.061700      0.1067000    
 C  -0.9140000     -0.2474000      -1.013600    
 C  -0.6230000       1.923600      5.7999999E-03
 C  -8.3200000E-02  0.7699000     -0.5537000    
 C    5.468800     -0.5880000      0.7387000    
 C    5.218700      2.4300000E-02 -0.4932000    
 C   -7.447100      -1.794900      0.1499000    
 C    3.152200     -5.5399999E-02  0.2754000    
 C    6.765500     -0.9516000       1.136300    
 C    6.306900      0.2804000      -1.355800    
 C    7.824500     -0.6868000      0.2642000    
 C    7.600300     -7.9000004E-02 -0.9662000    
 C   -8.264100      -2.917700     -0.4142000    
 H   -4.830800     -0.2447000      -1.722600    
 H   -6.126400      0.5487000     -0.9240000    
 H   -4.346200       3.297500     -3.5300002E-02
 H   -5.871200       2.483200      2.1000000E-02
 H   -5.558400     -0.5870000       1.272800    
 H   -4.278700      -1.460000      0.4719000    
 H   -5.185100       3.219800       2.276100    
 H   -3.787400       2.139200       2.245100    
 H   -5.420600       1.474500       2.205800    
 H   -2.892200     -0.9326000      -1.293500    
 H   -2.367000       2.983200      0.5506000    
 H  -0.4952000      -1.149000      -1.452700    
 H   2.3300000E-02   2.720100      0.3651000    
 H    6.934800      -1.426600       2.098700    
 H    6.142900      0.7549000      -2.319200    
 H    8.426800      0.1254000      -1.642900    
 H   -9.314500      -2.772300     -0.1461000    
 H   -8.180600      -2.925100      -1.503800    
 H   -7.926000      -3.868700      4.8000002E-03


%chk=000112378-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112378

0 1
Cl 9.710221 -1.701959 -0.281650
S 4.053689 -1.988739 -0.622851
O -6.166751 -2.056158 0.389404
O -8.130860 -0.802269 0.516226
N -4.324173 1.176692 -0.400746
N 1.336929 0.873696 -0.162615
N 4.180404 0.662215 -0.044601
N 1.911763 -0.305717 -0.365985
C -5.171493 -0.011897 -0.612580
C -5.008396 2.476035 -0.186765
C -2.934308 1.069907 -0.326296
C -5.387656 -0.825028 0.687924
C -5.196698 2.860391 1.299774
C -2.270402 -0.193872 -0.530714
C -2.109659 2.215464 -0.058256
C -0.880577 -0.299205 -0.490753
C -0.716971 2.101415 -0.018906
C -0.068637 0.850158 -0.233126
C 5.657624 -1.209606 -0.375715
C 5.495384 0.193550 -0.079997
C -7.564481 -1.904334 0.340029
C 3.302486 -0.297220 -0.296643
C 6.932292 -1.806729 -0.442100
C 6.644066 0.993528 0.150889
C 8.040185 -0.972179 -0.206236
C 7.921218 0.409431 0.087701
C -8.227350 -3.232762 0.061492
H -4.735304 -0.668262 -1.387117
H -6.154754 0.322448 -0.982920
H -4.447275 3.267090 -0.717527
H -5.996656 2.413251 -0.675352
H -5.928330 -0.223733 1.438603
H -4.437174 -1.194587 1.102034
H -5.658006 3.862113 1.374135
H -4.231922 2.885034 1.835185
H -5.860472 2.144769 1.815544
H -2.854035 -1.096957 -0.729618
H -2.559557 3.194254 0.122735
H -0.384935 -1.261210 -0.653894
H -0.086561 2.973609 0.182914
H 7.067970 -2.867670 -0.665336
H 6.516913 2.056183 0.374943
H 8.818971 1.008305 0.262367
H -9.317468 -3.101313 0.011844
H -7.856634 -3.651838 -0.889842
H -7.975123 -3.955893 0.856300


