%chk=000052767.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052767

0 1
 S    3.555700       1.669700      0.5610000    
 O   -2.773800      0.5399000      -1.492200    
 N   -4.484600     -0.4911000      0.3985000    
 N   -6.244100      -1.587100     -0.3403000    
 C    6.610300      -1.100100     -6.3600004E-02
 C    5.869900      0.2046000      0.2914000    
 C    4.355200      9.7499996E-02  0.1237000    
 C    6.106600      -2.241100      0.8239000    
 C    6.447800      -1.482100      -1.535700    
 C    1.832100       1.278600      0.2831000    
 C  -0.8487000      0.6702000     -0.1495000    
 C   -3.094600     -0.2222000      0.7707000    
 C    1.066100      0.7577000       1.321300    
 C    1.267900       1.497300     -0.9697000    
 C   -2.249600      0.3523000     -0.3752000    
 C  -0.2776000      0.4528000       1.104500    
 C  -7.5700000E-02   1.192300      -1.186500    
 C   -5.511700      0.3846000      0.5039000    
 C   -4.952200      -1.657300     -0.1077000    
 C   -6.599000     -0.3167000      3.8300000E-02
 H    7.677600     -0.9452000      0.1378000    
 H    6.260700       1.011700     -0.3419000    
 H    6.110600      0.4724000       1.328700    
 H    4.090800     -0.1409000     -0.9104000    
 H    3.937100     -0.6744000      0.7752000    
 H    6.752100      -3.118900      0.7061000    
 H    5.090400      -2.555900      0.5670000    
 H    6.127400      -1.958500       1.881600    
 H    5.417700      -1.757000      -1.782500    
 H    7.082500      -2.341800      -1.777200    
 H    6.747400     -0.6543000      -2.186900    
 H   -3.125900      0.4890000       1.603000    
 H   -2.670400      -1.175100       1.104800    
 H    1.495500      0.5817000       2.304400    
 H    1.855800       1.903100      -1.789100    
 H  -0.8403000      4.8300002E-02   1.939800    
 H  -0.4969000       1.370600      -2.172300    
 H   -5.399800       1.391500      0.8812000    
 H   -4.325700      -2.519800     -0.2900000    
 H   -7.619200      2.8800000E-02 -4.3600000E-02


%chk=000052767-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052767

0 1
S 3.584977 1.645739 -0.518015
O -3.273935 1.757479 -0.432945
N -4.537632 -0.658239 0.217972
N -6.638393 -1.216765 -0.438178
C 6.743713 -1.107917 0.165744
C 5.924632 0.181074 -0.144437
C 4.398058 -0.008826 -0.071918
C 6.512386 -1.623272 1.607321
C 6.500596 -2.228538 -0.874338
C 1.804789 1.289660 -0.389665
C -1.020529 0.919523 -0.238687
C -3.081474 -0.593771 0.231440
C 1.267168 0.031631 -0.015278
C 0.919292 2.364271 -0.689665
C -2.505832 0.788791 -0.177292
C -0.127937 -0.146536 0.058296
C -0.467519 2.178673 -0.613839
C -5.416909 -0.004451 1.092187
C -5.325882 -1.370018 -0.690616
C -6.700732 -0.362144 0.677308
H 7.809656 -0.807631 0.087037
H 6.196323 0.538840 -1.157373
H 6.223435 0.973984 0.569449
H 4.047533 -0.762974 -0.796168
H 4.070874 -0.283150 0.944807
H 7.209948 -2.447592 1.843574
H 5.485645 -2.014177 1.739202
H 6.670384 -0.820975 2.352208
H 5.472031 -2.630920 -0.807897
H 7.193724 -3.073079 -0.705747
H 6.657450 -1.862300 -1.906164
H -2.699337 -0.849484 1.239554
H -2.693769 -1.363818 -0.461069
H 1.923607 -0.810335 0.220671
H 1.325676 3.339112 -0.980960
H -0.507977 -1.130913 0.352853
H -1.157094 2.997894 -0.842670
H -5.065060 0.655139 1.880374
H -4.899066 -1.970598 -1.491326
H -7.655419 -0.058285 1.099849


