%chk=000033072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033072

0 1
 S    4.155400      -1.116600      -1.099700    
 O   -1.952200      -3.293200      0.8608000    
 N   -3.972100      0.3893000      0.1675000    
 N   -2.993100     -0.4011000      0.6580000    
 C   -5.802800       2.613400     -0.3589000    
 C   -4.694500       2.233700      -1.332600    
 C   -6.223100       1.398800      0.4587000    
 C   -3.531300       1.549600     -0.6152000    
 C   -5.021000      0.7372000       1.131100    
 C   -2.671600      -1.343900     -0.1564000    
 C   -1.597100      -2.292100      0.2567000    
 C  -0.1853000      -2.003700     -7.5999998E-02
 C   0.1194000     -0.8484000     -0.7716000    
 C   0.7946000      -2.896900      0.3168000    
 C    2.454500      -1.464600     -0.6984000    
 C    1.451000     -0.5765000      -1.085700    
 C    2.126200      -2.625000      2.9000000E-03
 C    4.399900      0.4428000     -0.2620000    
 C    4.230500      0.5220000       1.118100    
 C    4.759300       1.572900     -0.9922000    
 C    4.421500       1.739100       1.772200    
 C    4.950300       2.790100     -0.3381000    
 C    4.781400       2.873000       1.044200    
 H   -5.447800       3.404700      0.3128000    
 H   -6.662800       3.015100     -0.9057000    
 H   -5.097500       1.561200      -2.100500    
 H   -4.334100       3.129900      -1.850100    
 H   -6.953300       1.699200       1.218700    
 H   -6.722500      0.6730000     -0.1956000    
 H   -2.803300       1.236400      -1.373300    
 H   -3.020300       2.268700      3.7999999E-02
 H   -4.614400       1.400100       1.905800    
 H   -5.369400     -0.1707000       1.638800    
 H   -3.113700      -1.527100      -1.151500    
 H  -0.6351000     -0.1381000      -1.092500    
 H   0.5576000      -3.804900      0.8635000    
 H    1.682200      0.3304000      -1.639200    
 H    2.894700      -3.328500      0.3136000    
 H    3.956700     -0.3500000       1.706700    
 H    4.894500       1.526800      -2.069800    
 H    4.291600       1.803700       2.848500    
 H    5.230400       3.673200     -0.9047000    
 H    4.930400       3.820600       1.553400    


%chk=000033072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033072

0 1
S 4.368529 -1.092784 -0.356633
O -1.913931 -3.629644 -1.224312
N -3.823946 0.605532 -0.530474
N -2.724754 -0.186280 -0.652349
C -5.994412 2.529660 -0.200614
C -6.232403 1.016336 -0.003995
C -4.545158 2.885575 0.200303
C -5.215788 0.160492 -0.794024
C -3.539768 2.056693 -0.621537
C -2.812126 -1.491676 -0.887216
C -1.646413 -2.399590 -0.971987
C -0.213190 -1.978653 -0.790155
C 0.221298 -0.650947 -0.522358
C 0.772102 -3.000946 -0.899631
C 2.554109 -1.384991 -0.477520
C 1.591708 -0.354231 -0.374517
C 2.138932 -2.715751 -0.740885
C 4.481997 0.491598 0.581759
C 3.955231 0.602682 1.891018
C 5.189443 1.568709 -0.000171
C 4.126877 1.805598 2.611695
C 5.373363 2.763867 0.735040
C 4.839685 2.886441 2.038341
H -6.164245 2.803096 -1.262484
H -6.717884 3.109926 0.401155
H -6.144225 0.770669 1.072032
H -7.252235 0.731411 -0.324108
H -4.342099 3.959950 0.033558
H -4.397437 2.681620 1.278470
H -5.316857 -0.895565 -0.490490
H -5.424238 0.216515 -1.886310
H -3.584632 2.374922 -1.687782
H -2.504773 2.200199 -0.272068
H -3.759817 -2.030521 -1.049541
H -0.523342 0.143213 -0.440704
H 0.430630 -4.021087 -1.103844
H 1.907434 0.676005 -0.181461
H 2.880666 -3.518867 -0.812867
H 3.419589 -0.241572 2.337366
H 5.585305 1.473480 -1.016456
H 3.716324 1.892227 3.623812
H 5.925218 3.596225 0.284586
H 4.979036 3.814061 2.604459


