%chk=000162915.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162915

0 1
 S    4.199900      -1.334900      0.4402000    
 O    4.461000     -0.1188000     -0.6280000    
 O    5.344600      -2.420100      2.7300000E-02
 O    4.512200     -0.8624000       1.776400    
 O    2.909500      -1.933900      0.1545000    
 N    3.680700       1.003000     -0.3775000    
 N   -1.912700      0.7631000     -0.4233000    
 N   -2.303000     -0.2558000      0.1940000    
 C    2.271600      0.9426000     -0.3888000    
 C    1.610500      0.2770000      -1.421100    
 C    1.539100       1.548600      0.6319000    
 C  -0.5086000      0.8233000     -0.4117000    
 C   0.2170000      0.2171000      -1.432400    
 C   0.1456000       1.488800      0.6204000    
 C    4.394100       2.117600      0.2092000    
 C   -3.700000     -0.3160000      0.1828000    
 C   -4.361200     -0.9818000     -0.8492000    
 C   -4.432300      0.2900000       1.203500    
 C   -5.754700      -1.041800     -0.8605000    
 C   -5.826000      0.2302000       1.192200    
 C   -6.487100     -0.4357000      0.1602000    
 H    2.167200     -0.1947000      -2.226900    
 H    2.025500       2.065200       1.454400    
 H  -0.2902000     -0.3020000      -2.241400    
 H  -0.4177000       1.962000       1.420200    
 H    5.434800       2.127200     -0.1331000    
 H    4.404000       2.048000       1.301700    
 H    3.948300       3.074100     -8.4600002E-02
 H   -3.799300      -1.457800      -1.648800    
 H   -3.926400      0.8107000       2.012400    
 H   -6.269600      -1.560400      -1.663900    
 H   -6.396300      0.7019000       1.987100    
 H   -7.572200     -0.4824000      0.1515000    
 H    6.250600      -2.051200     -9.5700003E-02


%chk=000162915-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162915

0 1
S 5.178107 -1.563284 0.002176
O 4.351593 0.380086 -1.509364
O 6.765137 -0.576123 0.395775
O 4.086159 -0.990415 1.115384
O 5.599631 -3.129782 0.196480
N 3.619961 0.921863 -0.568439
N -1.961268 -0.028578 -0.623477
N -2.692850 0.526291 0.317451
C 2.218430 0.699008 -0.533697
C 1.627209 -0.093348 -1.559548
C 1.413736 1.271039 0.497479
C -0.569467 0.262547 -0.525361
C 0.244663 -0.306809 -1.546745
C 0.033292 1.054422 0.499292
C 4.308224 1.805503 0.410828
C -4.087028 0.235475 0.237419
C -4.693964 -0.586418 -0.758662
C -4.884612 0.833778 1.251705
C -6.083185 -0.797053 -0.727091
C -6.276918 0.616079 1.274673
C -6.878654 -0.198912 0.286096
H 2.265807 -0.521569 -2.335807
H 1.870300 1.862161 1.295324
H -0.242291 -0.912890 -2.316537
H -0.606618 1.474379 1.280175
H 5.385033 1.704832 0.217116
H 4.096837 1.447612 1.430259
H 3.974452 2.848622 0.268294
H -4.060574 -1.037619 -1.528111
H -4.387754 1.457482 2.001943
H -6.557219 -1.427295 -1.487461
H -6.890869 1.075929 2.055969
H -7.960681 -0.370181 0.302216
H 7.354281 -1.196130 0.917246


