%chk=000174616.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174616

0 1
 S   0.8875000      -3.493600       1.186200    
 O   -1.790700       2.636500      0.3394000    
 O   -4.034600      -2.123600     -0.5826000    
 O    1.212600      -4.118300     -0.2872000    
 O    2.153100      -3.067700       1.760200    
 O   2.1000000E-02  -4.420600       1.893100    
 O    3.506600     -0.4354000      -1.889700    
 N   0.4562000       1.578100       1.139200    
 N   -1.921300      -3.419000      0.1616000    
 N    4.886200       1.107200     -0.7689000    
 C   -1.515100      0.2832000      0.3910000    
 C   -2.100600     -0.9615000      0.1500000    
 C  -0.2024000      0.3559000      0.8722000    
 C   -1.373200      -2.133400      0.3899000    
 C  -6.5200001E-02  -2.056400      0.8692000    
 C   -3.655400       1.436400     -0.3652000    
 C   -4.241100      0.1917000     -0.6059000    
 C   -2.271000       1.527600      0.1416000    
 C   -3.485000      -1.052700     -0.3573000    
 C   0.5189000     -0.8145000       1.109800    
 C   -4.382900       2.608300     -0.6049000    
 C   -5.554100      0.1189000      -1.086500    
 C    1.808400       1.960000       1.088400    
 C   -5.691000       2.531300      -1.083700    
 C   -6.275300       1.289300      -1.324200    
 C    2.678200       1.345100      0.1843000    
 C    2.289000       2.955500       1.942900    
 C    4.020100       1.723300      0.1351000    
 C    3.630600       3.333600       1.893700    
 C    4.496100       2.717700      0.9897000    
 C    4.595200      9.7099997E-02  -1.699700    
 C    5.833300     -0.2924000      -2.493400    
 C    5.566200      -1.407700      -3.488100    
 H    1.525100     -0.7587000       1.513700    
 H  -0.1628000       2.310800       1.473000    
 H   -3.952300       3.590000     -0.4265000    
 H   -6.034800     -0.8357000      -1.282600    
 H   -1.376400      -4.256200      0.3090000    
 H   -2.864700      -3.518000     -0.1855000    
 H   -6.254800       3.440900      -1.269500    
 H   -7.293900       1.232300      -1.697000    
 H    2.257700      0.6076000     -0.4831000    
 H    1.625300       3.442700       2.652800    
 H    4.001400       4.107500       2.559400    
 H    5.539200       3.022400      0.9625000    
 H    1.740100      -3.538500     -0.8856000    
 H    5.848000       1.439400     -0.7423000    
 H    6.196200      0.5948000      -3.024700    
 H    6.611600     -0.6086000      -1.789500    
 H    5.212200      -2.310900      -2.980200    
 H    6.480700      -1.658400      -4.034300    
 H    4.803600      -1.111200      -4.215900    


%chk=000174616-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174616

0 1
S 1.317708 -3.218447 -0.025159
O -2.054402 2.758882 0.800394
O -4.120429 -2.051151 -0.991307
O 2.060314 -2.956087 -1.646137
O 2.428192 -2.968743 1.126748
O 0.541968 -4.636766 -0.149976
O 3.537160 -0.806179 -1.435107
N 0.321038 1.788064 0.903643
N -1.804152 -3.192362 -0.784680
N 4.892280 0.962868 -0.759887
C -1.637025 0.441476 0.230561
C -2.179639 -0.825200 -0.206024
C -0.240016 0.562007 0.551187
C -1.332727 -1.995690 -0.335621
C 0.036010 -1.818573 0.076860
C -3.941229 1.498984 0.015049
C -4.470664 0.254968 -0.431311
C -2.510362 1.622775 0.366864
C -3.602766 -0.944497 -0.560772
C 0.559616 -0.624698 0.529770
C -4.793167 2.628494 0.130407
C -5.846932 0.155783 -0.759140
C 1.695224 2.120774 0.869033
C -6.156785 2.521208 -0.197477
C -6.685200 1.280365 -0.643833
C 2.581544 1.448335 -0.010953
C 2.188561 3.166876 1.694720
C 3.964321 1.722115 0.025120
C 3.562451 3.485478 1.661824
C 4.465861 2.757451 0.856684
C 4.683048 -0.244222 -1.404196
C 5.899973 -0.864562 -2.085877
C 6.008895 -2.380985 -1.797509
H 1.589332 -0.606590 0.896914
H -0.409654 2.523829 1.061944
H -4.357900 3.570027 0.478134
H -6.225816 -0.812405 -1.099555
H -1.187389 -4.016187 -0.774846
H -2.809914 -3.213710 -1.030643
H -6.812337 3.394087 -0.109057
H -7.747452 1.199289 -0.898205
H 2.210571 0.714969 -0.722424
H 1.507739 3.702767 2.364029
H 3.942078 4.291574 2.298283
H 5.538336 2.983954 0.886683
H 2.718564 -2.157531 -1.590896
H 5.851540 1.317649 -0.774239
H 5.785084 -0.709858 -3.177162
H 6.828763 -0.344227 -1.783186
H 6.152428 -2.576849 -0.720787
H 6.864562 -2.810032 -2.346443
H 5.094497 -2.907395 -2.118540


