%chk=000156809.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156809

0 1
 O   -2.794900      -1.580000      0.2694000    
 O  -0.7236000       2.654400      0.3921000    
 N   0.1122000      0.4504000      0.1522000    
 N  -0.5276000     -0.7843000      0.1197000    
 N  -0.4289000      -3.117600     -6.3699998E-02
 N    1.557300      -1.927000     -0.1541000    
 C   -2.172200      0.7498000      0.3827000    
 C    1.507300      0.5223000      3.1599998E-02
 C   -1.883300     -0.5576000      0.2603000    
 C  -0.8476000       1.443300      0.3131000    
 C   -3.447300       1.480900      0.5548000    
 C   0.2505000      -1.922400     -3.5599999E-02
 C    2.213600     -0.6830000     -0.1210000    
 C   -4.079000       1.870900     -0.7854000    
 C    2.203300       1.735700      5.8200002E-02
 C    3.593900       1.749600     -6.6200003E-02
 C    3.607700     -0.6552000     -0.2443000    
 C    4.295500      0.5567000     -0.2170000    
 C   -5.403100       2.595000     -0.5972000    
 C  -0.9022000      -3.660500      -1.315000    
 C  -0.4622000      -3.968200       1.102300    
 C    4.330500       3.046800     -3.7000000E-02
 H   -4.152800      0.8599000       1.120700    
 H   -3.284800       2.377200       1.165900    
 H   -3.394300       2.517700      -1.347400    
 H   -4.247200      0.9750000      -1.395500    
 H    1.682200       2.680800      0.1728000    
 H    4.165500      -1.581000     -0.3632000    
 H    5.377600      0.5560000     -0.3165000    
 H   -5.267500       3.515200     -2.0099999E-02
 H   -6.124500       1.961900     -7.1000002E-02
 H   -5.830400       2.862600      -1.568600    
 H   -3.683000      -1.195100      0.3590000    
 H   -1.071200      -2.871000      -2.055400    
 H   -1.849600      -4.192300      -1.178800    
 H  -0.1680000      -4.361000      -1.725900    
 H   -1.399200      -4.532600       1.151100    
 H  -0.3845000      -3.380400       2.023400    
 H   0.3696000      -4.679400       1.077900    
 H    3.867400       3.744100      0.6695000    
 H    5.369100       2.909400      0.2831000    
 H    4.330700       3.500900      -1.032900    


%chk=000156809-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156809

0 1
O -2.734239 -1.580852 0.854931
O -0.687493 2.665025 -0.404451
N 0.059237 0.392050 -0.222396
N -0.570168 -0.862305 0.127808
N -0.437959 -3.262580 0.065045
N 1.547194 -1.984537 0.156135
C -2.171900 0.783525 0.219262
C 1.472391 0.491768 -0.064637
C -1.901120 -0.562027 0.420441
C -0.930230 1.437772 -0.174779
C -3.471823 1.517478 0.410405
C 0.229699 -2.046372 0.103412
C 2.185594 -0.724043 0.188958
C -4.088437 2.018693 -0.925531
C 2.144167 1.729344 -0.150485
C 3.547581 1.787081 0.046239
C 3.583078 -0.649883 0.385361
C 4.254699 0.588374 0.323236
C -5.390579 2.815439 -0.704954
C -1.538414 -3.520246 -0.886822
C 0.330749 -4.457586 0.458071
C 4.273833 3.116293 -0.064132
H -4.217881 0.881993 0.938959
H -3.298690 2.394450 1.064676
H -3.336640 2.651603 -1.431899
H -4.278039 1.152209 -1.589343
H 1.565968 2.633087 -0.360256
H 4.121517 -1.583514 0.574467
H 5.338909 0.625367 0.479280
H -5.207537 3.702273 -0.069575
H -6.163717 2.198230 -0.207625
H -5.808873 3.170022 -1.664251
H -3.617630 -1.192600 1.079514
H -1.903572 -2.583466 -1.331460
H -2.384725 -4.012921 -0.378932
H -1.176567 -4.173592 -1.708117
H -0.381466 -5.250553 0.747920
H 0.984074 -4.216592 1.309430
H 0.972865 -4.827254 -0.367071
H 3.717166 3.924457 0.443514
H 5.282845 3.062567 0.380347
H 4.391135 3.419723 -1.122697


