%chk=000078922.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078922

0 1
 S    1.863500      -2.337200       1.495700    
 O    1.304700      -3.555000       2.062500    
 O    2.789600      -1.529700       2.273500    
 O   -3.374800      -2.580700      0.1792000    
 O   -2.364500       2.656100     -0.1362000    
 N   0.1368000       2.355900      0.5460000    
 N  -0.9448000      -3.149500      0.8630000    
 C   -1.751500     -0.8662000      0.4080000    
 C   -1.488500      0.5028000      0.3264000    
 C   0.5494000      -1.268700       1.042900    
 C  -0.7295000      -1.753300      0.7669000    
 C  -0.2038000      0.9849000      0.6043000    
 C   0.8116000      9.7499996E-02  0.9619000    
 C   -3.102500      -1.388400      0.1180000    
 C   -2.557300       1.449700     -5.2000001E-02
 C   -4.171300     -0.4414000     -0.2601000    
 C   -3.908300      0.9276000     -0.3421000    
 C    2.694500      -2.851200      1.9300001E-02
 C   -5.456100     -0.9236000     -0.5379000    
 C   -4.930000       1.814600     -0.7017000    
 C    1.336300       3.025200      0.2460000    
 C   -6.471300     -3.6200002E-02 -0.8962000    
 C   -6.208800       1.329900     -0.9778000    
 C    3.752400      -2.097300     -0.4548000    
 C    2.268300      -3.995900     -0.6292000    
 C    1.611500       4.266400      0.8255000    
 C    2.258900       2.452200     -0.6329000    
 C    4.406900      -2.502000      -1.618200    
 C    2.923000      -4.400500      -1.792600    
 C    3.720300       4.355300     -0.3497000    
 C    2.801500       4.930400      0.5281000    
 C    3.449100       3.116200     -0.9302000    
 C    3.992200      -3.653600      -2.287000    
 C    4.992200       5.065700     -0.6686000    
 H    1.804500      0.4677000       1.200700    
 H  -0.6210000       2.976400      0.8145000    
 H   -5.689000      -1.983400     -0.4822000    
 H   -4.753700       2.884500     -0.7733000    
 H  -0.2040000      -3.792300       1.093000    
 H   -1.858300      -3.535000      0.6696000    
 H   -7.467800     -0.4108000      -1.111700    
 H   -7.001100       2.018600      -1.256900    
 H    4.084200      -1.194000      4.7600001E-02
 H    1.439100      -4.594100     -0.2673000    
 H   0.9040000       4.725300       1.511700    
 H    2.064800       1.500900      -1.121100    
 H    5.238000      -1.919300      -2.004500    
 H    2.600000      -5.296800      -2.314000    
 H    3.000600       5.896000      0.9852000    
 H    4.153900       2.661400      -1.621200    
 H    4.501300      -3.968300      -3.193300    
 H    4.851600       5.715700      -1.537800    
 H    5.326000       5.677000      0.1768000    
 H    5.797100       4.355800     -0.8876000    


%chk=000078922-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078922

0 1
S 2.073402 -2.295432 1.477786
O 1.519813 -3.584773 2.339475
O 3.212747 -1.285968 2.072067
O -3.432727 -2.660147 0.428447
O -2.360507 2.717152 -0.326816
N 0.115493 2.371215 0.181472
N -0.971591 -3.119592 1.088862
C -1.777023 -0.884331 0.420517
C -1.490609 0.515889 0.196229
C 0.574879 -1.216620 0.989605
C -0.733631 -1.795055 0.834722
C -0.151788 1.028690 0.380121
C 0.870221 0.118719 0.811682
C -3.140677 -1.411214 0.238506
C -2.569612 1.439761 -0.184403
C -4.210412 -0.475576 -0.188218
C -3.931878 0.905113 -0.396949
C 2.742587 -2.950143 -0.176993
C -5.527330 -0.964861 -0.386768
C -4.973740 1.780766 -0.800713
C 1.369462 3.033866 0.113212
C -6.553716 -0.091262 -0.790193
C -6.275591 1.286634 -0.998419
C 3.856735 -2.290093 -0.718647
C 2.139217 -4.079945 -0.750999
C 1.434056 4.375817 0.577379
C 2.532315 2.455328 -0.464182
C 4.382803 -2.787351 -1.933889
C 2.678220 -4.558306 -1.968439
C 3.808700 4.532669 -0.068267
C 2.633602 5.107016 0.484054
C 3.728742 3.197122 -0.539641
C 3.791244 -3.912098 -2.556581
C 5.093747 5.332655 -0.182869
H 1.879129 0.476035 1.042464
H -0.768506 2.914969 -0.004872
H -5.710779 -2.029746 -0.215888
H -4.730775 2.837068 -0.948773
H -0.258812 -3.660359 1.599805
H -1.954394 -3.421762 0.955238
H -7.569103 -0.472591 -0.942831
H -7.077114 1.964026 -1.312034
H 4.305081 -1.441965 -0.189984
H 1.293736 -4.579018 -0.268067
H 0.542443 4.829923 1.024086
H 2.493486 1.448678 -0.892628
H 5.254416 -2.302764 -2.385818
H 2.232629 -5.435162 -2.449063
H 2.661805 6.138257 0.855883
H 4.615235 2.732755 -0.988442
H 4.204899 -4.292139 -3.496876
H 5.135907 5.886013 -1.141544
H 5.180061 6.077326 0.627943
H 5.983404 4.680110 -0.141549


