%chk=000051952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051952

0 1
 S    3.636200      0.5267000       2.023700    
 S   -3.139400     -0.6992000      0.4178000    
 N    2.944200       1.772700     -0.3002000    
 C    1.551700       1.548700     -0.3184000    
 C   -1.202600       1.107100     -0.3548000    
 C    3.675200       2.001200      0.9407000    
 C   0.9680000      0.8716000      -1.389100    
 C   0.7583000       2.005000      0.7341000    
 C  -0.4092000      0.6509000      -1.407400    
 C  -0.6189000       1.784200      0.7160000    
 C   -2.675000      0.8708000     -0.3743000    
 C    3.702500       1.706500      -1.538900    
 C    4.273100     -0.7262000      0.9181000    
 C   -4.918100     -0.6754000      0.2291000    
 C    5.547200     -0.5869000      0.3751000    
 C    3.491500      -1.834900      0.6061000    
 C   -5.477700     -0.6237000      -1.044100    
 C   -5.732900     -0.7091000       1.356800    
 C    6.043900      -1.564500     -0.4870000    
 C    3.988100      -2.812500     -0.2559000    
 C   -6.864600     -0.6055000      -1.191000    
 C   -7.119900     -0.6911000       1.210000    
 C    5.264400      -2.677300     -0.8025000    
 C   -7.685800     -0.6393000     -6.4000003E-02
 H    3.279200       2.863200       1.487400    
 H    4.725100       2.245400      0.7455000    
 H    1.549400      0.4886000      -2.222200    
 H    1.163700       2.551700       1.579200    
 H  -0.8513000      0.1187000      -2.245700    
 H   -1.226600       2.147200       1.540800    
 H   -3.193600       1.691800      0.1352000    
 H   -3.030600      0.8813000      -1.410900    
 H    4.714500       2.108100      -1.416500    
 H    3.227300       2.305100      -2.324700    
 H    3.804200      0.6737000      -1.887900    
 H    6.175200      0.2677000      0.6129000    
 H    2.494100      -1.955400       1.021500    
 H   -4.858000     -0.6069000      -1.936800    
 H   -5.309200     -0.7493000       2.357000    
 H    7.038100      -1.460100     -0.9116000    
 H    3.380900      -3.678600     -0.5022000    
 H   -7.305500     -0.5675000      -2.182900    
 H   -7.759500     -0.7174000       2.087400    
 H    5.651100      -3.438600      -1.473700    
 H   -8.765600     -0.6258000     -0.1783000    


%chk=000051952-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051952

0 1
S 3.891422 0.338794 1.938059
S -3.628866 -0.715496 0.184958
N 2.713666 1.386885 -0.517017
C 1.306464 1.299316 -0.402660
C -1.564134 1.185176 -0.213255
C 3.532662 1.749148 0.595653
C 0.502697 1.008909 -1.546333
C 0.642653 1.505359 0.844319
C -0.899313 0.955571 -1.444581
C -0.760832 1.451886 0.925247
C -3.062335 1.119246 -0.112518
C 3.368447 0.906913 -1.748684
C 5.015362 -0.733009 0.947091
C -5.458918 -0.491575 0.070169
C 6.338507 -0.316509 0.656839
C 4.557902 -1.995553 0.497705
C -6.070808 -0.205533 -1.174954
C -6.256438 -0.649351 1.229119
C 7.192562 -1.152509 -0.099160
C 5.420725 -2.835058 -0.245323
C -7.474908 -0.064062 -1.256257
C -7.663046 -0.523102 1.140622
C 6.735870 -2.413373 -0.551912
C -8.274192 -0.225058 -0.099390
H 3.077859 2.537342 1.215798
H 4.529625 2.065443 0.257855
H 0.967779 0.832901 -2.520065
H 1.214979 1.673578 1.760135
H -1.490678 0.728882 -2.340102
H -1.243308 1.605276 1.898272
H -3.454211 1.700895 0.736729
H -3.561334 1.439540 -1.041304
H 4.460412 0.932290 -1.613183
H 3.109274 1.545557 -2.615557
H 3.082592 -0.136382 -1.981149
H 6.700530 0.644728 1.039027
H 3.535533 -2.310499 0.730515
H -5.452628 -0.114144 -2.075141
H -5.775240 -0.868364 2.187951
H 8.215288 -0.826324 -0.319826
H 5.063285 -3.813236 -0.586168
H -7.943399 0.157466 -2.221853
H -8.276599 -0.651996 2.039384
H 7.401451 -3.063829 -1.130281
H -9.363256 -0.123436 -0.165376


