%chk=000128962.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128962

0 1
 O    1.322300       1.199000     -0.6707000    
 N   -1.196000      0.7956000     -6.2500000E-02
 N    2.744900     -0.2397000      0.4621000    
 N    6.212300      0.9052000     -0.1985000    
 N   -4.216400      -2.105600      0.1036000    
 C   -1.851300      -1.518200      1.4800000E-02
 C  -0.8723000     -0.5118000     -4.0700000E-02
 C   0.4645000     -0.8999000     -7.3399998E-02
 C   -3.192100      -1.121900      4.7400001E-02
 C   -3.534000      0.2340000      2.5100000E-02
 C   -2.489100       1.171800     -3.0900000E-02
 C    3.882500      0.6505000      0.5072000    
 C    5.063100      8.8000000E-03 -0.2103000    
 C   -1.479100      -2.873700      3.6400001E-02
 C    1.525900      9.9500000E-02 -0.1317000    
 C   0.8379000      -2.246000     -5.2299999E-02
 C  -0.1356000      -3.235300      2.7999999E-03
 C   -4.873100      0.6606000      5.7200000E-02
 C   -2.823000       2.523400     -5.3399999E-02
 C   -5.180100       2.017700      3.3700000E-02
 C   -4.152700       2.950800     -2.1600001E-02
 C    7.338500      0.3099000     -0.9204000    
 C    6.603000       1.225300       1.175800    
 H    3.626100       1.617400      6.1500002E-02
 H    4.073700      0.8016000       1.573500    
 H    5.303100     -0.9585000      0.2520000    
 H    4.769900     -0.2021000      -1.247100    
 H   -2.195200      -3.687400      7.6899998E-02
 H    2.835700      -1.111000      0.9743000    
 H    1.874000      -2.566200     -0.1137000    
 H   0.1490000      -4.283000      1.1100000E-02
 H   -5.714800     -2.2200000E-02  0.1006000    
 H   -2.035700       3.273800     -9.6699998E-02
 H   -4.004400      -3.091100      0.1232000    
 H   -5.192500      -1.854100      0.1273000    
 H   -6.214900       2.345300      5.8600001E-02
 H   -4.381400       4.012300     -4.0300000E-02
 H    7.059900      9.4999999E-02  -1.958100    
 H    7.682300     -0.6211000     -0.4550000    
 H    8.182200       1.007800     -0.9620000    
 H    6.737100      0.3294000       1.793000    
 H    5.884800       1.894300       1.659600    
 H    7.550700       1.777800       1.183100    


%chk=000128962-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128962

0 1
O 2.946954 -2.014719 -1.571251
N -0.446428 0.133069 -0.076729
N 2.121242 0.022810 -0.787228
N 5.644500 1.159114 0.116167
N -4.200601 -1.838335 0.306292
C -1.832371 -1.907428 -0.321340
C -0.568080 -1.188775 -0.433883
C 0.596676 -1.899658 -0.941614
C -2.983208 -1.200674 0.181991
C -2.848086 0.182749 0.554658
C -1.543491 0.800242 0.401182
C 3.403305 0.720231 -0.931851
C 4.373943 0.409907 0.238374
C -1.893768 -3.285769 -0.712204
C 1.984742 -1.300295 -1.122001
C 0.472873 -3.244285 -1.305035
C -0.764203 -3.942976 -1.194990
C -3.931140 0.974912 1.066860
C -1.385831 2.182217 0.767187
C -3.746380 2.312371 1.413148
C -2.457082 2.921659 1.260554
C 6.778563 0.485374 0.778703
C 5.529978 2.572090 0.524262
H 3.893322 0.402821 -1.868876
H 3.198950 1.804477 -0.993588
H 3.855711 0.611346 1.211292
H 4.594781 -0.671220 0.199179
H -2.830533 -3.851942 -0.640305
H 1.249444 0.476346 -0.422582
H 1.375744 -3.737921 -1.680993
H -0.822576 -4.995362 -1.491050
H -4.931026 0.542475 1.197599
H -0.392933 2.625465 0.641957
H -4.314785 -2.813455 0.048939
H -5.016596 -1.347189 0.657438
H -4.583658 2.901154 1.802125
H -2.319859 3.973312 1.534757
H 6.882434 -0.540204 0.383658
H 6.672656 0.419934 1.892456
H 7.714541 1.032136 0.560415
H 5.297907 2.697178 1.614397
H 4.734887 3.076956 -0.051517
H 6.479184 3.097864 0.314944


