%chk=000157613.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157613

0 1
 S    5.965000      -1.022200     -0.8259000    
 O    2.195400      0.8883000       2.746900    
 O    7.352300     -0.8443000      -1.212500    
 O    5.626500      -1.614800      0.4528000    
 N  -5.2400000E-02  0.9987000       1.057400    
 N   -3.804700       1.233400     -0.7900000    
 N    5.141900      0.4744000      -1.047900    
 C   -2.048900     -9.2799999E-02  0.1781000    
 C   -1.325800       1.077800      0.4307000    
 C   -3.300200      3.3500001E-02 -0.4424000    
 C   -1.843600       2.326300      7.2099999E-02
 C   -1.550900      -1.360200      0.5285000    
 C   -2.288200      -2.523300      0.2678000    
 C   -3.105100       2.357900     -0.5448000    
 C   -3.546500      -2.405500     -0.3558000    
 C   -4.025800      -1.127600     -0.6976000    
 C    1.244600      0.8678000      0.5441000    
 C   -1.138400       3.518300      0.3137000    
 C   -3.627200       3.597500     -0.9048000    
 C   -1.804400      -3.796900      0.6113000    
 C   -4.291600      -3.566700     -0.6211000    
 C    2.355400      0.8135000       1.395200    
 C    1.439500      0.7900000     -0.8404000    
 C   -1.682300       4.744700     -5.5700000E-02
 C    3.825800      0.6067000     -0.5105000    
 C   -2.929400       4.784100     -0.6663000    
 C    3.640900      0.6833000      0.8700000    
 C   -2.556500      -4.940100      0.3410000    
 C   -3.798800      -4.825100     -0.2745000    
 C    2.725100      0.6600000      -1.365600    
 C    5.195100      -1.996100      -2.099800    
 C    2.013400     -0.3409000       3.446200    
 H  -0.5825000      -1.464700       1.014600    
 H   -4.999800      -1.038000      -1.180100    
 H  -0.1056000       1.083500       2.068100    
 H  -0.1632000       3.523900      0.7936000    
 H   -4.602600       3.654500      -1.384600    
 H  -0.8354000      -3.908900       1.093000    
 H   -5.265500      -3.500100      -1.101800    
 H   0.6021000      0.8283000      -1.532300    
 H   -1.136500       5.664000      0.1330000    
 H   -3.363000       5.736000     -0.9583000    
 H    4.494700      0.6563000       1.542900    
 H   -2.171900      -5.919200      0.6111000    
 H    2.857400      0.5998000      -2.442800    
 H   -4.385500      -5.714400     -0.4856000    
 H    5.258100      0.9027000      -1.976200    
 H    5.335600      -1.499500      -3.061700    
 H    5.682600      -2.973600      -2.115200    
 H    4.135500      -2.119100      -1.870300    
 H    2.900200     -0.9740000       3.341900    
 H    1.129400     -0.8717000       3.079200    
 H    1.869000     -0.1137000       4.506000    


%chk=000157613-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157613

0 1
S 5.761698 -1.959812 -0.401177
O 2.173618 1.489473 2.348905
O 7.133124 -2.366089 -1.182046
O 5.761296 -1.646537 1.201699
N -0.015305 1.277149 0.919646
N -4.090588 1.298226 -0.489596
N 4.964366 -0.215236 -1.305829
C -1.965885 0.043466 -0.038344
C -1.342176 1.256224 0.424493
C -3.351235 0.135938 -0.523508
C -2.103638 2.462487 0.464553
C -1.345104 -1.233724 0.011130
C -1.996934 -2.395248 -0.458774
C -3.495873 2.418977 0.012022
C -3.349669 -2.290894 -1.008584
C -3.989922 -1.035356 -1.017381
C 1.159462 0.841477 0.297367
C -1.561224 3.724482 0.901240
C -4.284758 3.624611 0.075753
C -1.366705 -3.693065 -0.412339
C -3.994129 -3.486343 -1.499673
C 2.373751 0.964262 1.061311
C 1.244697 0.349666 -1.033321
C -2.355249 4.866334 0.943160
C 3.684924 0.092286 -0.811976
C -3.735581 4.813977 0.538175
C 3.611881 0.611980 0.520259
C -2.021172 -4.820934 -0.892388
C -3.349607 -4.715659 -1.445068
C 2.479713 -0.054333 -1.566396
C 4.507405 -3.418474 -0.638262
C 3.355614 1.642504 3.209175
H -0.340078 -1.330118 0.433341
H -5.014727 -0.926971 -1.387138
H 0.153564 1.789932 1.792101
H -0.503299 3.794316 1.177577
H -5.324131 3.553528 -0.258679
H -0.357615 -3.772339 0.009486
H -5.005832 -3.404642 -1.913564
H 0.338509 0.282272 -1.640679
H -1.926369 5.819041 1.272305
H -4.344757 5.723289 0.582402
H 4.544083 0.712278 1.080065
H -1.533444 -5.801077 -0.853981
H 2.524733 -0.449768 -2.588597
H -3.847196 -5.617178 -1.818709
H 4.953368 -0.504253 -2.306806
H 4.534684 -3.688403 -1.702780
H 4.883348 -4.223488 0.008430
H 3.526843 -3.044900 -0.311794
H 4.067556 2.367760 2.772794
H 3.857764 0.669203 3.358489
H 2.969504 2.021504 4.166212


