%chk=000072651.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072651

0 1
 S    2.595900      -3.030700     -0.1389000    
 O   -3.495700     -0.5293000     -0.6634000    
 O  -0.1549000      -3.468200      0.7298000    
 N   0.9561000       1.142600      0.5984000    
 C   -4.129700      0.6949000     -0.2396000    
 C   1.7999999E-02  0.1589000      0.2371000    
 C   -1.304300      0.3651000     -3.4400001E-02
 C   0.5592000      -1.221500      0.1570000    
 C   -2.192200     -0.7794000     -0.2684000    
 C    2.316000       1.009000      0.2071000    
 C   -3.187700       1.869900     -0.2484000    
 C   -1.863200       1.703600     -0.1764000    
 C    2.800600     -0.2636000     -0.1831000    
 C    1.885000      -1.439100     -3.3700000E-02
 C  -0.4246000      -2.352700      0.3020000    
 C   -1.808800      -2.047600     -0.1029000    
 C   -4.733600      0.4877000       1.154000    
 C   -5.254800      0.9422000      -1.252800    
 C   0.6670000       2.235200       1.532500    
 C    3.182100       2.122000      0.1420000    
 C    4.121300     -0.3561000     -0.6693000    
 C    4.491000       1.997100     -0.3171000    
 C    4.957200      0.7600000     -0.7316000    
 H   -3.596100       2.874300     -0.3168000    
 H   -1.221900       2.573700     -0.2331000    
 H   -2.493800      -2.876900     -0.2396000    
 H   -5.296000       1.366500       1.488000    
 H   -5.406400     -0.3777000       1.161100    
 H   -3.956300      0.2788000       1.898400    
 H   -5.837100       1.837800      -1.009400    
 H   -4.851600       1.058400      -2.266300    
 H   -5.939800      8.6900003E-02  -1.290900    
 H   0.6210000       3.199000       1.014300    
 H    1.426600       2.292300       2.322000    
 H  -0.2851000       2.081200       2.052700    
 H    2.842300       3.116200      0.4209000    
 H    4.539700      -1.299900      -1.009100    
 H    5.136700       2.868700     -0.3659000    
 H    5.972300      0.6570000      -1.103700    
 H    1.691800      -3.735300      0.5527000    


%chk=000072651-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072651

0 1
S 2.792333 -3.069815 -0.110751
O -3.589333 -0.589529 -0.437128
O -0.025761 -3.667487 -0.352302
N 0.935085 1.135287 0.359288
C -4.191511 0.764964 -0.077429
C 0.057794 0.077705 0.025417
C -1.330284 0.349010 -0.168482
C 0.598205 -1.266906 -0.095599
C -2.223231 -0.766477 -0.265386
C 2.325981 0.999452 0.192660
C -3.246936 1.857708 -0.544071
C -1.897182 1.658775 -0.513269
C 2.892127 -0.292802 -0.061103
C 2.030275 -1.483265 -0.086064
C -0.376113 -2.349121 -0.250486
C -1.757046 -2.087771 -0.296582
C -4.384848 0.777301 1.456215
C -5.530155 0.780469 -0.827997
C 0.454692 2.316205 1.118957
C 3.177135 2.138122 0.303183
C 4.302873 -0.388226 -0.238072
C 4.563279 2.006705 0.130435
C 5.133452 0.736448 -0.149095
H -3.682470 2.790067 -0.918701
H -1.222111 2.446134 -0.863304
H -2.452950 -2.922795 -0.392655
H -4.865034 1.722098 1.768913
H -5.025626 -0.066370 1.767746
H -3.413729 0.696790 1.975007
H -6.083320 1.708685 -0.597302
H -5.364969 0.727451 -1.917119
H -6.148709 -0.081318 -0.525408
H 0.432810 3.237735 0.509947
H 1.123612 2.478821 1.982313
H -0.559843 2.120404 1.490285
H 2.754331 3.128506 0.489078
H 4.719383 -1.380673 -0.437262
H 5.201990 2.894070 0.200144
H 6.213708 0.636047 -0.293393
H 1.008297 -3.771405 -0.275432


