%chk=000121829.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121829

0 1
 S   -6.036300     -0.7422000      -1.204000    
 O    4.155300     -0.5003000       1.141500    
 O   -6.113000       1.541500      0.7593000    
 O   -7.112400      0.2354000      -1.266600    
 O   -5.549000      -1.364400      -2.425900    
 O    4.857600       1.939500     -3.0000001E-04
 N   0.8799000      -2.009600      0.4226000    
 N   -6.466200      -1.968400     -9.5500000E-02
 C  -0.4922000      -1.592700      0.7266000    
 C  -0.9089000     -0.4589000     -0.2280000    
 C   -2.299100      6.9799997E-02  3.1700000E-02
 C   -1.402300      -2.816100      0.6154000    
 C    1.834900      -1.045600      0.9432000    
 C   -3.394500     -0.4998000     -0.6173000    
 C   -4.678900     -1.1100000E-02 -0.3775000    
 C   -2.488000       1.128300      0.9204000    
 C    3.258600      -1.477900      0.6306000    
 C   -4.867800       1.047300      0.5111000    
 C   -3.772300       1.617100       1.159900    
 C    5.348800     -0.3532000      0.4842000    
 C    5.697400      0.8706000     -8.7300003E-02
 C    6.218200      -1.439900      0.3895000    
 C   -6.208300       2.624300       1.682400    
 C    6.915100       1.007700     -0.7537000    
 C    7.436000      -1.302800     -0.2768000    
 C    7.784400     -7.9099998E-02 -0.8485000    
 C    4.391900       2.499600      -1.226700    
 C    3.011000       3.081000      -1.010300    
 H  -0.5578000      -1.246300       1.767000    
 H  -0.8483000     -0.8030000      -1.270200    
 H  -0.2216000      0.3929000     -0.1697000    
 H    1.068200      -2.918600      0.8452000    
 H   -1.033200      -3.638900       1.239100    
 H   -2.415500      -2.596400      0.9657000    
 H   -1.464300      -3.180800     -0.4160000    
 H    1.730100     -0.9358000       2.030300    
 H    1.693000     -4.7400001E-02  0.5168000    
 H   -3.236900      -1.325500      -1.306200    
 H   -1.641700       1.578000       1.433200    
 H    3.479000      -2.441200       1.105800    
 H    3.381500      -1.587300     -0.4554000    
 H   -3.839900       2.440100       1.862800    
 H   -6.268900      -2.941300     -0.3602000    
 H   -7.339800      -1.850000      0.4319000    
 H    5.964400      -2.396900      0.8371000    
 H   -5.882400       2.330100       2.686000    
 H   -5.686000       3.514800       1.316600    
 H   -7.268200       2.888600       1.759000    
 H    7.203800       1.956900      -1.196600    
 H    8.114100      -2.148200     -0.3485000    
 H    8.733700      2.8000001E-02  -1.365300    
 H    4.342000       1.737300      -2.014300    
 H    5.083500       3.288400      -1.541700    
 H    2.628000       3.532200      -1.929900    
 H    3.031800       3.843200     -0.2246000    
 H    2.313200       2.303900     -0.6811000    


%chk=000121829-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121829

0 1
S -6.641229 -1.873412 -0.595285
O 3.898078 -0.015994 0.014934
O -6.664776 0.984445 0.374363
O -7.537595 -1.233481 -1.791398
O -6.094240 -3.398078 -0.747740
O 5.454156 2.129811 -0.024840
N 0.761242 -1.834668 0.822303
N -7.497009 -1.813254 1.025831
C -0.666316 -1.497177 1.042501
C -1.339147 -1.156109 -0.328823
C -2.728697 -0.562870 -0.184804
C -1.366961 -2.680387 1.736516
C 1.694525 -0.698516 0.685905
C -3.890959 -1.350189 -0.391672
C -5.155110 -0.778233 -0.216061
C -2.910556 0.792029 0.192424
C 3.005743 -1.183568 0.057212
C -5.345221 0.563395 0.181389
C -4.190988 1.358311 0.379346
C 5.172721 -0.197921 -0.538210
C 6.013278 0.962215 -0.560860
C 5.655764 -1.419572 -1.056081
C -6.901537 2.414798 0.607950
C 7.314053 0.866180 -1.103732
C 6.962366 -1.503676 -1.597251
C 7.788225 -0.364754 -1.621027
C 6.287363 3.346823 -0.033179
C 5.450396 4.453737 0.602619
H -0.768108 -0.596494 1.698989
H -1.362225 -2.082990 -0.929786
H -0.683877 -0.442409 -0.863847
H 1.095320 -2.528219 1.504040
H -0.933291 -2.865330 2.737617
H -2.444204 -2.484104 1.867161
H -1.253078 -3.599747 1.132029
H 1.921318 -0.182789 1.648079
H 1.247478 0.058900 0.017603
H -3.824465 -2.403229 -0.689638
H -2.028044 1.425961 0.341872
H 3.465555 -1.989263 0.669663
H 2.818643 -1.575165 -0.961946
H -4.283430 2.406027 0.680205
H -8.170334 -2.595815 1.069904
H -7.925759 -0.877840 1.126283
H 5.021384 -2.310674 -1.045750
H -6.467917 2.736271 1.573840
H -6.485055 3.020897 -0.217613
H -7.995069 2.523169 0.633694
H 7.966293 1.743947 -1.128709
H 7.321154 -2.458364 -1.995789
H 8.799175 -0.421145 -2.038135
H 6.564297 3.600091 -1.077896
H 7.218194 3.164060 0.543484
H 6.024202 5.398194 0.627410
H 5.171652 4.183809 1.635371
H 4.524325 4.619266 0.026334


