%chk=000003547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003547

0 1
 S   0.4598000       1.193700      0.3026000    
 O   0.1933000       1.925600     -0.9183000    
 O   0.3444000       1.810900       1.607200    
 N    2.001400      0.4470000      0.1666000    
 N    5.069400      5.3800002E-02 -0.3765000    
 N   -4.819100      0.5385000     -0.5735000    
 C    2.196200     -0.3886000      -1.055800    
 C    3.156000       1.330900      0.4956000    
 C    3.113200      -1.561200     -0.7276000    
 C    4.414900      0.5347000      0.8334000    
 C    4.607400      -1.247800     -0.8492000    
 C  -0.7672000     -0.1083000      0.3323000    
 C   -2.097400      0.1408000      2.7700000E-02
 C  -0.2980000      -1.361500      0.6770000    
 C   -3.001100     -0.9407000      7.5400002E-02
 C   -1.193800      -2.427200      0.7230000    
 C   -2.576300       1.408700     -0.3220000    
 C   -2.540300      -2.221100      0.4240000    
 C   -4.337300     -0.6781000     -0.2333000    
 C   -3.925400       1.549900     -0.6088000    
 H    2.599200      0.2219000      -1.872400    
 H    1.243100     -0.7869000      -1.413800    
 H    2.904100       1.926200       1.380900    
 H    3.335100       2.033200     -0.3276000    
 H    2.892600      -2.384700      -1.418400    
 H    2.903700      -1.941300      0.2796000    
 H    5.112400       1.224600       1.324200    
 H    4.221900     -0.2706000       1.551800    
 H    5.163200      -2.036100     -0.3260000    
 H    4.894200      -1.326700      -1.904600    
 H    6.077300      6.5000001E-03 -0.2287000    
 H   0.7251000      -1.554500      0.9720000    
 H  -0.8465000      -3.417100       1.004500    
 H   -1.979900       2.310400     -0.3355000    
 H   -3.226700      -3.063700      0.4676000    
 H   -5.085000      -1.466300     -0.2155000    
 H   -4.337600       2.518900     -0.8714000    


%chk=000003547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003547

0 1
S 0.553676 1.359679 1.171268
O 0.134794 2.649148 0.252889
O 0.937118 1.578476 2.740896
N 2.020153 0.335127 0.443713
N 4.803928 0.008319 -0.804063
N -3.836465 -0.431636 -1.928197
C 1.937817 0.315422 -1.054223
C 3.293775 0.865390 1.004955
C 2.614676 -0.981223 -1.564156
C 4.462470 -0.083132 0.619599
C 4.150505 -0.885578 -1.772733
C -0.822940 0.034607 1.117752
C -1.792515 -0.045275 0.066308
C -0.797246 -0.833979 2.203805
C -2.758249 -1.127028 0.172766
C -1.763905 -1.881977 2.288848
C -1.911468 0.835002 -1.062394
C -2.721001 -2.028080 1.283174
C -3.742456 -1.253159 -0.867979
C -2.918256 0.606375 -2.001696
H 2.396816 1.216582 -1.507350
H 0.869933 0.291381 -1.337083
H 3.179671 0.906418 2.102958
H 3.539966 1.877946 0.621515
H 2.155222 -1.269700 -2.528888
H 2.369373 -1.782542 -0.843399
H 5.336508 0.240795 1.215575
H 4.211273 -1.117331 0.942726
H 4.556029 -1.927719 -1.755792
H 4.357450 -0.478926 -2.782255
H 5.788977 0.192364 -1.002009
H -0.048504 -0.691742 2.990355
H -1.741977 -2.563034 3.145110
H -1.242802 1.694973 -1.159969
H -3.464919 -2.831773 1.335166
H -4.477670 -2.066945 -0.813449
H -3.033455 1.266574 -2.867244


