%chk=000148761.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148761

0 1
 O   -4.729700     -0.2746000     -0.3461000    
 O   -3.601100      -1.350700       1.368000    
 N   -3.900500      0.8236000     -0.1166000    
 N    1.667000      0.4863000     -0.5993000    
 N    2.145500     -0.1314000      0.3809000    
 C   -2.507800      0.7391000     -0.2370000    
 C   -1.689200       1.738300      0.3025000    
 C   -1.919400     -0.3452000     -0.8987000    
 C   0.2763000      0.5704000     -0.4787000    
 C  -0.3021000       1.654300      0.1819000    
 C  -0.5323000     -0.4294000      -1.019000    
 C   -4.608700       2.090100     -5.0600000E-02
 C    3.543200     -0.2164000      0.2599000    
 C    4.345500      0.7836000      0.8007000    
 C    4.114300      -1.298900     -0.4022000    
 C    5.732500      0.7003000      0.6782000    
 C    5.501300      -1.382300     -0.5244000    
 C   -4.459000      -1.318800      0.4957000    
 C    6.310500     -0.3828000      1.5799999E-02
 C   -5.386400      -2.455400      0.1890000    
 H   -2.106400       2.591100      0.8304000    
 H   -2.518000      -1.127800      -1.357200    
 H   0.3201000       2.437600      0.6073000    
 H  -9.1100000E-02  -1.274200      -1.541500    
 H   -5.692500       1.934900     -9.4999999E-02
 H   -4.331700       2.735900     -0.8906000    
 H   -4.397100       2.610000      0.8891000    
 H    3.903600       1.630500       1.318700    
 H    3.491400      -2.082100     -0.8259000    
 H    6.362500       1.478500       1.098800    
 H    5.951400      -2.225500      -1.040300    
 H    7.390400     -0.4477000     -7.9400003E-02
 H   -5.176600      -3.287400      0.8672000    
 H   -6.422200      -2.139400      0.3364000    
 H   -5.229000      -2.794900     -0.8378000    


%chk=000148761-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148761

0 1
O -4.444954 -0.705960 -0.030621
O -5.975508 0.114235 1.570971
N -3.875604 0.666213 -0.111722
N 1.796927 0.689599 -0.389401
N 2.454822 -0.298387 0.172124
C -2.468978 0.610543 -0.224345
C -1.757181 1.655978 -0.885193
C -1.732234 -0.449033 0.393362
C 0.380393 0.593233 -0.292683
C -0.353098 1.643146 -0.905126
C -0.334729 -0.458444 0.355582
C -4.697325 1.526955 -0.978417
C 3.880756 -0.191183 0.072868
C 4.608864 -1.256299 0.666943
C 4.579282 0.877868 -0.559391
C 6.019154 -1.258985 0.631736
C 5.986102 0.867719 -0.589715
C -5.499605 -0.836061 0.932118
C 6.712183 -0.197406 0.003592
C -5.907617 -2.292983 0.974042
H -2.291233 2.471782 -1.379066
H -2.276587 -1.257002 0.887795
H 0.206913 2.439987 -1.405544
H 0.236625 -1.266078 0.823135
H -5.748495 1.431090 -0.670282
H -4.590197 1.283883 -2.055097
H -4.400527 2.574360 -0.803818
H 4.045226 -2.063754 1.146230
H 3.999455 1.689032 -1.010252
H 6.576229 -2.082768 1.091299
H 6.526596 1.688618 -1.074963
H 7.807658 -0.196777 -0.024761
H -6.765642 -2.409253 1.651433
H -6.175019 -2.650463 -0.034772
H -5.067953 -2.913808 1.332137


