%chk=000018655.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018655

0 1
 S   0.2880000      -1.409800     -0.8552000    
 O   -5.630600      -1.175200     -0.3620000    
 N    4.945200      -1.342100      0.2009000    
 N    1.937800      0.7356000     -0.5641000    
 N  -0.2213000       1.198100     -0.3103000    
 C    3.739100     -0.5761000      0.4885000    
 C    3.153400     -1.2500000E-02 -0.8030000    
 C    1.880100       2.079900     -0.2989000    
 C    4.603000      -2.681300     -0.2820000    
 C    5.794400      -1.433500       1.390200    
 C   0.6583000      0.2541000     -0.5601000    
 C   0.5220000       2.344100     -0.1445000    
 C    2.869000       3.057500     -0.1842000    
 C    5.849900      -3.468000     -0.6489000    
 C    5.089600      -2.176700       2.512300    
 C   0.1077000       3.655900      0.1415000    
 C    2.438900       4.357500      0.1009000    
 C    1.083200       4.653500      0.2610000    
 C   -1.497400      -1.339300     -0.7064000    
 C   -2.281300      -1.081900      -1.831100    
 C   -2.102500      -1.541400      0.5342000    
 C   -4.275300      -1.228800     -0.4749000    
 C   -3.670100      -1.026800      -1.715300    
 C   -3.491300      -1.486100      0.6499000    
 C   -6.161300     -0.7360000      0.8874000    
 C   -7.503900     -6.4499997E-02  0.6426000    
 C   -8.124400      0.4439000       1.931500    
 H    2.982600      -1.169500       1.018100    
 H    3.972300      0.2777000       1.139500    
 H    3.871200      0.6607000      -1.287700    
 H    2.929700     -0.7842000      -1.544800    
 H    3.972300      -3.257100      0.4046000    
 H    4.022200      -2.593300      -1.207300    
 H    6.763600      -1.893400       1.170100    
 H    6.047200     -0.4217000       1.733100    
 H    3.922700       2.833300     -0.3041000    
 H    5.565800      -4.358800      -1.220500    
 H    6.398300      -3.821600      0.2293000    
 H    6.528400      -2.881700      -1.278300    
 H    5.726200      -2.142400       3.404900    
 H    4.933400      -3.237700       2.298800    
 H    4.136800      -1.727400       2.805700    
 H  -0.9432000       3.896000      0.2679000    
 H    3.174400       5.152000      0.2002000    
 H   0.7797000       5.673500      0.4822000    
 H   -1.827400     -0.9215000      -2.805900    
 H   -1.507400      -1.748800       1.420200    
 H   -4.275800     -0.8257000      -2.594700    
 H   -3.923200      -1.676400       1.627900    
 H   -5.501300     -3.1999999E-03   1.369800    
 H   -6.287600      -1.602900       1.546300    
 H   -8.185200     -0.7718000      0.1546000    
 H   -7.377200      0.7664000     -6.1900001E-02
 H   -9.089300      0.9180000       1.726500    
 H   -7.478200       1.184600       2.413300    
 H   -8.292200     -0.3766000       2.636400    


%chk=000018655-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018655

0 1
S 0.262005 -1.187049 1.206050
O -5.620855 -1.463153 -0.262151
N 4.790482 -1.541092 -0.236991
N 1.913683 0.888030 0.288508
N 0.169883 1.606458 1.604431
C 3.943355 -0.577118 0.495823
C 2.820398 -0.024888 -0.423419
C 2.061404 2.281140 0.411157
C 4.212597 -2.911196 -0.269830
C 6.234074 -1.470367 0.108394
C 0.766239 0.547826 1.031008
C 0.952780 2.716264 1.215385
C 3.021809 3.178634 -0.100594
C 4.840526 -3.810286 -1.350668
C 6.621904 -1.942243 1.536865
C 0.794125 4.087935 1.517413
C 2.844377 4.543747 0.210017
C 1.749103 4.991242 1.007228
C -1.535761 -1.145096 0.740697
C -2.016537 -2.209167 -0.060223
C -2.416707 -0.158208 1.226866
C -4.278999 -1.293073 0.107219
C -3.387287 -2.286560 -0.370315
C -3.790184 -0.223099 0.899577
C -6.601547 -0.468878 0.214535
C -7.970807 -0.899131 -0.317190
C -9.085404 0.074109 0.125084
H 3.471831 -1.017618 1.407797
H 4.568805 0.268299 0.838248
H 3.271749 0.509241 -1.276594
H 2.219586 -0.858548 -0.826177
H 4.284567 -3.415891 0.725619
H 3.131694 -2.809404 -0.480859
H 6.796083 -2.061553 -0.637773
H 6.553913 -0.419430 -0.027586
H 3.865727 2.844916 -0.713697
H 4.295536 -4.770225 -1.409275
H 5.898986 -4.043710 -1.136367
H 4.789057 -3.314977 -2.336348
H 7.709097 -1.817544 1.696363
H 6.379639 -3.008903 1.694643
H 6.096433 -1.353945 2.311513
H -0.047163 4.425750 2.130116
H 3.564332 5.277346 -0.169405
H 1.651988 6.060303 1.225667
H -1.327108 -2.967888 -0.445268
H -2.025919 0.665638 1.832015
H -3.783363 -3.099160 -0.986527
H -4.459189 0.556350 1.274969
H -6.326587 0.538102 -0.164075
H -6.596602 -0.443523 1.324694
H -8.187787 -1.921215 0.045000
H -7.923645 -0.952454 -1.420780
H -10.064999 -0.249089 -0.268892
H -8.896340 1.099344 -0.245072
H -9.165979 0.121603 1.227377


