%chk=000152622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152622

0 1
 S    5.776000      -1.509500     -0.3902000    
 S   -5.775900      -1.509600      0.3903000    
 O    2.624800       1.229500      0.4969000    
 O   -2.624500       1.229400     -0.4987000    
 O    7.996200      0.5798000     -0.8089000    
 O   -7.996100      0.5798000      0.8089000    
 N    2.758500      -1.376700      0.5253000    
 N   -2.758400      -1.376800     -0.5252000    
 C   0.6859000     -8.3300002E-02  0.1303000    
 C  -0.6859000     -8.3400004E-02 -0.1305000    
 C    1.371800      -1.296800      0.2611000    
 C   -1.371800      -1.296900     -0.2610000    
 C   0.6860000       2.462700      0.1301000    
 C  -0.6860000       2.462700     -0.1303000    
 C    1.422100       1.189700      0.2699000    
 C   -1.422100       1.189600     -0.2699000    
 C   0.6844000      -2.503900      0.1304000    
 C  -0.6844000      -2.503900     -0.1302000    
 C    3.450200      -2.619400      0.6573000    
 C   -3.450200      -2.619600     -0.6570000    
 C    1.371900       3.676300      0.2606000    
 C   -1.372100       3.676100     -0.2604000    
 C    4.929800      -2.403200      0.9496000    
 C   -4.929700      -2.403300     -0.9494000    
 C   0.6843000       4.883200      0.1304000    
 C  -0.6847000       4.883100     -0.1296000    
 C    7.432000      -1.469100      0.3314000    
 C   -7.432000      -1.469100     -0.3313000    
 C    8.418400     -0.7586000     -0.5820000    
 C   -8.418400     -0.7585000      0.5822000    
 H    1.161500      -3.474500      0.2220000    
 H   -1.161600      -3.474600     -0.2217000    
 H    3.278500     -0.5127000      0.6138000    
 H   -3.278600     -0.5129000     -0.6135000    
 H    3.356600      -3.222000     -0.2553000    
 H    3.034200      -3.199200       1.490700    
 H   -3.356600      -3.222000      0.2556000    
 H   -3.034200      -3.199400      -1.490400    
 H    2.439200       3.705900      0.4632000    
 H   -2.439200       3.705700     -0.4629000    
 H    5.416800      -3.374700       1.084300    
 H    5.045800      -1.830100       1.876100    
 H   -5.416800      -3.374700      -1.084000    
 H   -5.045700      -1.830300      -1.876000    
 H    1.217000       5.824400      0.2318000    
 H   -1.217500       5.824200     -0.2306000    
 H    7.774800      -2.491200      0.5195000    
 H    7.371200     -0.9352000       1.285600    
 H   -7.774800      -2.491200     -0.5193000    
 H   -7.371200     -0.9354000      -1.285400    
 H    9.407300     -0.7318000     -0.1132000    
 H    8.508000      -1.269500      -1.546800    
 H   -9.407400     -0.7317000      0.1133000    
 H   -8.508000      -1.269400       1.547000    
 H    8.659600      0.9939000      -1.386800    
 H   -8.659500      0.9941000       1.386700    


%chk=000152622-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152622

0 1
S 5.905546 -1.449671 -0.446750
S -5.906064 -1.450100 0.446128
O 2.726149 1.262893 0.497626
O -2.726395 1.263152 -0.495098
O 8.571234 -0.294771 -1.632814
O -8.572359 -0.294332 1.630018
N 2.776202 -1.309878 0.515882
N -2.776211 -1.310177 -0.514660
C 0.712143 -0.035369 0.130230
C -0.712402 -0.035371 -0.128076
C 1.424531 -1.284956 0.262806
C -1.424622 -1.285027 -0.261163
C 0.700670 2.501998 0.128640
C -0.700769 2.502031 -0.126499
C 1.446262 1.227283 0.264969
C -1.446564 1.227360 -0.262193
C 0.681965 -2.511262 0.126370
C -0.681923 -2.511288 -0.124988
C 3.557930 -2.534811 0.692413
C -3.557664 -2.535269 -0.691344
C 1.392745 3.735064 0.252552
C -1.392708 3.735135 -0.250802
C 5.016754 -2.215672 1.046501
C -5.016311 -2.216406 -1.046393
C 0.699505 4.952485 0.126569
C -0.699328 4.952521 -0.125252
C 7.520162 -0.955484 0.424216
C -7.519895 -0.955607 -0.426114
C 8.720124 -1.198716 -0.483766
C -8.720611 -1.198404 0.480987
H 1.203034 -3.468511 0.218767
H -1.202867 -3.468565 -0.217796
H 3.219077 -0.361855 0.548360
H -3.219183 -0.362223 -0.547710
H 3.529618 -3.164042 -0.223875
H 3.130767 -3.147439 1.516157
H -3.529841 -3.164281 0.225113
H -3.129903 -3.148029 -1.514676
H 2.469266 3.701115 0.445315
H -2.469242 3.701243 -0.443502
H 5.541160 -3.144567 1.330231
H 5.059007 -1.501341 1.887770
H -5.540446 -3.145443 -1.330163
H -5.058143 -1.502321 -1.887890
H 1.237347 5.902148 0.222476
H -1.237065 5.902212 -0.221469
H 7.613881 -1.568813 1.337860
H 7.455671 0.109577 0.699794
H -7.613078 -1.569011 -1.339763
H -7.454926 0.109404 -0.701768
H 9.653697 -0.968130 0.076870
H 8.743737 -2.262251 -0.801381
H -9.653698 -0.967658 -0.080395
H -8.744745 -2.261887 0.798735
H 9.226724 -0.530698 -2.335520
H -9.228443 -0.529986 2.332260


