%chk=000148058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148058

0 1
 S   -6.698300     -0.3526000     -0.2080000    
 O    1.619900       1.759700      -3.124000    
 O    2.261400     -0.3482000      -1.379300    
 N    2.117700       2.704100      0.4175000    
 C    1.164800       3.087700       1.464300    
 C    1.420400       2.393700     -0.8190000    
 C   0.1973000       1.926400       1.722000    
 C   0.3910000       4.322800      0.9911000    
 C    1.947000       3.414500       2.740900    
 C    2.383700       1.984400      -1.935600    
 C    3.175400      0.7181000      -1.616200    
 C    2.672700      -1.331500     -0.5198000    
 C    1.756200      -2.037000      0.2549000    
 C    4.033200      -1.614700     -0.4337000    
 C    2.203500      -3.033500       1.122500    
 C    4.480400      -2.611400      0.4337000    
 C    3.565600      -3.320700       1.211800    
 C   0.3549000      -1.757700      0.1778000    
 C   -2.222000      -1.244200      3.6600001E-02
 C  -0.8211000      -1.523400      0.1132000    
 C   -2.746500     -0.6216000      -1.095000    
 C   -3.060300      -1.595400       1.093700    
 C   -4.952500     -0.7002000     -0.1128000    
 C   -4.112400     -0.3494000      -1.169700    
 C   -4.426300      -1.323200       1.019000    
 C   -6.705400       1.453600     -0.3860000    
 H    2.650300       1.893600      0.7303000    
 H   0.6849000       1.590100     -0.7137000    
 H   0.8756000       3.261100      -1.206100    
 H    3.085700       2.799400      -2.149000    
 H   0.7307000      0.9806000       1.872100    
 H  -0.3782000       2.112100       2.637700    
 H  -0.5448000       1.787400      0.9295000    
 H  -0.3640000       4.102800      0.2289000    
 H    1.061600       5.100100      0.6054000    
 H  -0.1572000       4.768200       1.830800    
 H    2.656000       4.234200       2.575400    
 H    1.274300       3.718800       3.550900    
 H    2.516500       2.546700       3.094100    
 H    3.832900      0.9141000     -0.7611000    
 H    3.787200      0.4496000      -2.486000    
 H    1.175600       2.594500      -3.350300    
 H    4.778900      -1.114300      -1.043800    
 H    1.503500      -3.596200       1.735900    
 H    5.540100      -2.841000      0.4978000    
 H    3.913800      -4.098000       1.885800    
 H   -2.104000     -0.3428000      -1.927000    
 H   -2.664600      -2.081200       1.982500    
 H   -4.501000      0.1307000      -2.064400    
 H   -5.065300      -1.603600       1.852800    
 H   -6.257600       1.751100      -1.337500    
 H   -6.155600       1.919000      0.4366000    
 H   -7.738200       1.811200     -0.3625000    


%chk=000148058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148058

0 1
S -6.625087 -0.374929 0.575461
O 2.114428 1.622899 -3.276041
O 2.373319 -0.207938 -0.808055
N 1.669959 2.508281 0.379720
C 0.838901 3.401677 1.250971
C 1.277274 2.330613 -1.033046
C -0.669178 3.008430 1.244119
C 1.004954 4.872006 0.791006
C 1.406050 3.250375 2.683782
C 2.511044 1.974766 -1.898475
C 3.311554 0.783296 -1.369143
C 2.897863 -1.404356 -0.314177
C 1.940124 -2.304496 0.263260
C 4.269772 -1.745778 -0.352915
C 2.409331 -3.541637 0.788495
C 4.703696 -2.982582 0.176042
C 3.776334 -3.883160 0.747083
C 0.554207 -1.964219 0.311329
C -2.044972 -1.360454 0.397928
C -0.654496 -1.689645 0.360551
C -2.540706 -0.199332 -0.264358
C -2.981189 -2.183007 1.096796
C -4.826057 -0.696833 0.462856
C -3.910054 0.128598 -0.233989
C -4.347096 -1.857099 1.128924
C -6.825960 1.192815 -0.435029
H 1.780628 1.582778 0.819861
H 0.515377 1.536113 -1.191761
H 0.857858 3.281859 -1.413804
H 3.199601 2.847802 -1.909166
H -0.805624 1.966485 1.589709
H -1.254695 3.671354 1.908562
H -1.097524 3.088642 0.227155
H 0.578694 5.042065 -0.215424
H 2.075510 5.140805 0.763975
H 0.483748 5.552997 1.488422
H 2.474299 3.530076 2.703251
H 0.856782 3.895005 3.392879
H 1.314823 2.204676 3.036295
H 4.003171 1.116530 -0.571730
H 3.881712 0.340213 -2.207576
H 1.512065 2.325116 -3.630097
H 5.002793 -1.062422 -0.789921
H 1.677883 -4.227892 1.227606
H 5.768451 -3.237917 0.139476
H 4.115386 -4.840482 1.155575
H -1.838754 0.440287 -0.810168
H -2.623250 -3.080234 1.612245
H -4.249104 1.027683 -0.757375
H -5.046953 -2.503647 1.670387
H -6.520034 1.025783 -1.479647
H -6.257719 2.022723 0.013398
H -7.901738 1.423810 -0.400225


