%chk=000029751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029751

0 1
 O  -0.2625000     -0.6852000       1.030000    
 O  -0.8030000       1.576300      0.7828000    
 N   -4.422800       3.198400      -1.112400    
 N    4.927400      0.6143000     -0.1667000    
 C   -3.355400     -0.3263000      1.1000000E-03
 C   -2.739000      -1.501800     -0.7942000    
 C   -3.547800      0.9172000     -0.8967000    
 C   -2.531000     -4.6900000E-02   1.272500    
 C   -2.666100      -2.809300      3.9999999E-04
 C   -4.278900       2.068100     -0.2001000    
 C   -1.115000      0.4124000       1.001500    
 C   -2.028600      -3.920600     -0.8207000    
 C    1.069900     -0.3445000      0.7878000    
 C    2.867400     -7.3000002E-03 -0.7560000    
 C    3.677900      0.3227000      0.3323000    
 C    1.521700     -0.3513000     -0.5197000    
 C    1.869600     -1.8999999E-02   1.860500    
 C    3.207800      0.3260000       1.650400    
 C    3.673700      9.6500002E-02  -1.923800    
 C    4.934800      0.4803000      -1.529200    
 H   -4.354600     -0.6439000      0.3302000    
 H   -1.742800      -1.229300      -1.161800    
 H   -3.352300      -1.676400      -1.688100    
 H   -2.573800       1.260600      -1.267300    
 H   -4.123700      0.6189000      -1.783200    
 H   -3.008900      0.7312000       1.879100    
 H   -2.507300     -0.9115000       1.944300    
 H   -2.071900      -2.695500      0.9105000    
 H   -3.673800      -3.114300      0.3047000    
 H   -3.728500       2.415000      0.6783000    
 H   -5.269900       1.744200      0.1342000    
 H   -1.004900      -3.658300      -1.106600    
 H   -1.992500      -4.848000     -0.2404000    
 H   -2.602500      -4.113000      -1.732800    
 H   -4.928500       2.902400      -1.946600    
 H   -3.502900       3.497200      -1.434600    
 H   0.8634000     -0.6144000      -1.341900    
 H    1.474000     -2.7300000E-02   2.872400    
 H    3.854700      0.5856000       2.481700    
 H    3.365800     -8.9299999E-02  -2.943600    
 H    5.723600      0.8877000      0.3926000    
 H    5.835400      0.6697000      -2.096100    


%chk=000029751-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029751

0 1
O -0.229929 -0.357135 0.904685
O -1.178642 1.774860 1.238919
N -5.207781 3.148436 -0.163921
N 5.156908 0.452531 -0.338054
C -3.412458 -0.362129 0.024767
C -2.694747 -1.202937 -1.066394
C -3.831496 1.024709 -0.534372
C -2.578683 -0.251665 1.351627
C -2.398377 -2.670275 -0.679927
C -4.704959 1.886521 0.419249
C -1.289998 0.528846 1.177416
C -1.806310 -3.478380 -1.855307
C 1.126215 0.020353 0.610170
C 3.266814 -0.821663 -0.158829
C 3.806357 0.502384 0.029198
C 1.901742 -1.054680 0.141634
C 1.661542 1.330648 0.797108
C 3.018085 1.572269 0.503179
C 4.344311 -1.656640 -0.648509
C 5.477093 -0.850545 -0.747038
H -4.339632 -0.905516 0.313356
H -1.746301 -0.705228 -1.353616
H -3.334517 -1.198105 -1.973627
H -2.931254 1.607064 -0.815399
H -4.405224 0.857374 -1.470385
H -3.181148 0.272793 2.112804
H -2.347688 -1.262080 1.725592
H -1.687669 -2.696616 0.167991
H -3.333930 -3.154694 -0.330610
H -4.125585 2.152883 1.321411
H -5.576819 1.290425 0.757680
H -0.856351 -3.029270 -2.202816
H -1.599251 -4.524732 -1.564031
H -2.500994 -3.498027 -2.716385
H -5.782962 3.014231 -1.003123
H -4.470919 3.843384 -0.325135
H 1.441048 -2.039749 0.022333
H 1.019060 2.135438 1.153157
H 3.434069 2.575832 0.643577
H 4.291646 -2.714825 -0.897212
H 5.802907 1.238004 -0.311523
H 6.484025 -1.102796 -1.074837


