%chk=000128440.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128440

0 1
 S    4.233800      -1.927200     -0.1764000    
 O  -0.8414000       2.391500       1.020600    
 O   -3.664300     -0.1161000      -1.743600    
 O   -3.419800       3.523300      0.9377000    
 O    7.018500      0.6866000     -0.7318000    
 O    6.025000      -3.819000     -0.5296000    
 N    6.716500      -1.605700     -0.6835000    
 N   -3.467900      0.7981000      0.3157000    
 C    4.504200      0.5913000      0.9044000    
 C    4.806000     -0.2094000     -0.3500000    
 C    3.076200       1.072000      0.9352000    
 C   -2.769300       3.098400     -0.2631000    
 C   -3.168700       1.697300     -0.6491000    
 C   -1.263000       3.243200     -4.3699998E-02
 C    6.293800     -0.2948000     -0.6064000    
 C    2.101500      0.2753000       1.517400    
 C    2.759500       2.303300      0.3813000    
 C   0.4479000       1.956700      0.9924000    
 C   -3.276700       1.181300      -1.891200    
 C   0.7798000      0.7201000       1.546200    
 C    1.437900       2.748400      0.4101000    
 C   -3.757300     -0.2690000     -0.3941000    
 C    5.811000      -2.616500     -0.4951000    
 C   -4.158300      -1.576000      4.7200002E-02
 C   -3.084100       1.668900      -3.261100    
 C   -4.421900      -2.582700     -0.8863000    
 C   -4.288100      -1.849400       1.411900    
 C   -4.812300      -3.851700     -0.4587000    
 C   -4.678300      -3.118600       1.839400    
 C   -4.940400      -4.119600      0.9040000    
 H    4.738100      2.9200001E-02   1.819200    
 H    5.158600       1.472700      0.9568000    
 H    4.344600      0.2248000      -1.244300    
 H   -3.087400       3.786700      -1.055300    
 H  -0.7554000       2.990700     -0.9843000    
 H   -1.029000       4.278200      0.2327000    
 H    2.345900     -0.6829000       1.966000    
 H    3.523800       2.928600     -7.1800001E-02
 H   1.2900000E-02  0.1006000       2.003300    
 H    1.227700       3.728000     -8.6000003E-03
 H    7.692000      -1.818200     -0.8661000    
 H   -4.036300       2.002800      -3.684300    
 H   -2.681000      0.8808000      -3.904900    
 H   -2.385200       2.510600      -3.286100    
 H   -3.172000       4.450500       1.094800    
 H   -4.333600      -2.414200      -1.956700    
 H   -4.089100      -1.085100       2.159600    
 H   -5.016400      -4.631600      -1.186500    
 H   -4.778100      -3.327500       2.900500    
 H   -5.244200      -5.107700       1.237000    


%chk=000128440-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128440

0 1
S 4.211783 -1.341246 2.304873
O -0.523329 2.454445 -0.406259
O -4.902133 0.491489 0.025621
O -2.632673 4.131876 -0.806876
O 7.428688 -0.743535 -0.002666
O 5.930349 -2.720888 3.984904
N 6.830581 -1.792921 2.010694
N -3.112156 0.433648 -1.388310
C 4.931847 0.906618 0.634878
C 5.086900 -0.634006 0.765177
C 3.503745 1.334132 0.336277
C -2.540787 2.902270 -1.606170
C -3.374750 1.776995 -1.025743
C -1.068982 2.488529 -1.777190
C 6.563041 -1.049109 0.852875
C 2.608999 1.689189 1.381108
C 3.021212 1.361905 -0.994592
C 0.815679 2.073636 -0.231125
C -4.467904 1.831908 -0.172449
C 1.278393 2.054936 1.107010
C 1.689425 1.727201 -1.290795
C -4.022776 -0.305034 -0.754968
C 5.796717 -2.078751 2.929049
C -4.214743 -1.751889 -0.766202
C -5.236005 2.905766 0.519500
C -5.265247 -2.360961 -0.026498
C -3.333556 -2.563913 -1.532865
C -5.428805 -3.761093 -0.056740
C -3.504238 -3.961965 -1.557177
C -4.551441 -4.566853 -0.820416
H 5.300939 1.379783 1.562954
H 5.608465 1.213949 -0.185752
H 4.637389 -1.127386 -0.113842
H -2.935189 3.183275 -2.600654
H -1.002964 1.489109 -2.243751
H -0.525030 3.247314 -2.372037
H 2.958044 1.676123 2.420171
H 3.696669 1.104400 -1.820306
H 0.586198 2.325172 1.910188
H 1.351420 1.740688 -2.330734
H 7.777909 -2.130854 2.205511
H -5.183173 2.796335 1.618779
H -6.303974 2.877934 0.235189
H -4.812867 3.882249 0.238140
H -2.023630 4.004771 -0.030557
H -5.941211 -1.734029 0.563342
H -2.528140 -2.082309 -2.096484
H -6.239716 -4.225121 0.515315
H -2.822060 -4.582271 -2.148786
H -4.681217 -5.654509 -0.840813


