%chk=000122884.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122884

0 1
 S  -4.8300002E-02 -0.9891000     -0.2298000    
 N   -1.675700       1.106900      0.1388000    
 N    2.944800      0.6504000      0.8067000    
 C   -2.547000     -1.2100000E-02  4.0100001E-02
 C   -3.975500     -7.9899997E-02  0.1017000    
 C   -1.820000      -1.222500     -0.1502000    
 C  -0.3265000      0.7463000     -2.3000001E-03
 C   -2.144200       2.458700      0.3809000    
 C   -4.581400      -1.370500     -1.4800000E-02
 C   -2.422900      -2.462100     -0.2645000    
 C   -3.804400      -2.526600     -0.1918000    
 C   -4.879600       1.005200      0.2622000    
 C   0.7560000       1.542600      1.1000000E-02
 C   -2.628400       3.115100     -0.8956000    
 C   -5.977100      -1.522500      4.1099999E-02
 C   -6.267900      0.8357000      0.3146000    
 C   -6.817200     -0.4287000      0.2059000    
 C    2.154100       1.032400     -0.1511000    
 C    2.730500      0.9398000      -1.551400    
 C    4.239900      0.1895000      0.5247000    
 C    5.301800       1.089300      0.4861000    
 C    4.456800      -1.165200      0.2863000    
 C    6.810900     -0.7251000     -3.2000002E-02
 C    6.589500      0.6312000      0.2070000    
 C    5.744500      -1.623300      7.6000001E-03
 C    8.187100      -1.215600     -0.3312000    
 H   -2.875100       2.487000       1.193200    
 H   -1.334000       3.080900      0.7804000    
 H   -1.841700      -3.367500     -0.4067000    
 H   -4.278200      -3.503300     -0.2803000    
 H   -4.566200       2.032000      0.3575000    
 H   0.6836000       2.618200      0.1255000    
 H   -3.094200       4.080400     -0.6736000    
 H   -3.341600       2.507400      -1.458200    
 H   -1.782900       3.303600      -1.567100    
 H   -6.430600      -2.508800     -4.6399999E-02
 H   -6.913700       1.700100      0.4412000    
 H   -7.893200     -0.5656000      0.2461000    
 H    3.601300       1.590200      -1.667200    
 H    2.974100     -9.2000000E-02  -1.817800    
 H    1.982300       1.285100      -2.273800    
 H    5.139000       2.147400      0.6729000    
 H    3.632200      -1.872400      0.3167000    
 H    7.412300       1.340700      0.1807000    
 H    5.904400      -2.682600     -0.1754000    
 H    8.783300     -0.4428000     -0.8282000    
 H    8.692100      -1.505900      0.5953000    
 H    8.160400      -2.080400      -1.002800    


%chk=000122884-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122884

0 1
S 0.203105 -0.742670 0.426848
N -1.650354 1.097243 -0.165197
N 2.540822 0.427790 -0.127552
C -2.415987 -0.025042 0.265238
C -3.856694 -0.177911 0.325091
C -1.583952 -1.091236 0.661207
C -0.258007 0.899173 -0.213670
C -2.176181 2.465921 -0.385642
C -4.361020 -1.412247 0.918661
C -2.086460 -2.297351 1.208223
C -3.464578 -2.441478 1.358040
C -4.830331 0.749525 -0.186085
C 0.680373 1.821618 -0.656014
C -2.445378 2.797600 -1.869492
C -5.776459 -1.610917 1.037350
C -6.203199 0.515110 -0.067621
C -6.688813 -0.667046 0.567159
C 2.108326 1.571684 -0.642702
C 3.005472 2.675941 -1.200948
C 3.871021 -0.043781 -0.137383
C 4.385958 -0.631249 1.054092
C 4.695527 -0.062774 -1.301711
C 6.509454 -1.196646 -0.069055
C 5.682081 -1.181345 1.085799
C 5.985789 -0.631573 -1.260191
C 7.888079 -1.834550 -0.039731
H -3.083077 2.588270 0.226666
H -1.430120 3.169329 0.026289
H -1.397321 -3.090592 1.514927
H -3.883335 -3.354006 1.796091
H -4.517464 1.649538 -0.714677
H 0.348743 2.778009 -1.068031
H -2.805113 3.838441 -1.965192
H -3.204094 2.126568 -2.307926
H -1.525769 2.693606 -2.469923
H -6.130330 -2.539953 1.500018
H -6.911787 1.243145 -0.477615
H -7.766324 -0.836568 0.663516
H 4.040488 2.574305 -0.835653
H 3.032824 2.648509 -2.307082
H 2.617892 3.667432 -0.906040
H 3.749121 -0.637341 1.944874
H 4.307412 0.341610 -2.243427
H 6.058401 -1.614198 2.021477
H 6.596451 -0.640664 -2.172208
H 8.358328 -1.737396 0.955314
H 7.835725 -2.916734 -0.272228
H 8.564156 -1.373499 -0.781883


