%chk=000004149.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004149

0 1
 O   -7.702500      0.1500000      -1.371600    
 O   -8.554800       2.136000      0.2545000    
 N   0.2187000     -0.8673000      0.1424000    
 N   -7.532800       1.261300      0.6466000    
 C   -2.195000     -0.4698000     -8.9999996E-03
 C   -1.091200      -1.382200      0.5232000    
 C   -3.579400     -0.9875000      0.3871000    
 C    1.283500      -1.690000      0.7191000    
 C   -4.685500     -5.7799999E-02 -0.1136000    
 C    2.649800      -1.145400      0.3972000    
 C   -6.068600     -0.5908000      0.2526000    
 C   0.3490000     -0.8170000      -1.314800    
 C    2.891400      0.2154000      0.5270000    
 C    4.160400      0.7388000      0.2305000    
 C    3.646000      -2.010300     -2.3499999E-02
 C    5.186500     -0.1356000     -0.2001000    
 C    4.912900      -1.507800     -0.3220000    
 C   -7.187500      0.2935000     -0.2660000    
 C    4.433900       2.110900      0.3528000    
 C    6.455500      0.3879000     -0.4966000    
 C    5.700500       2.613800      5.4000001E-02
 C    6.709300       1.753900     -0.3700000    
 H   -2.185200     -0.4142000      -1.102000    
 H   -2.057600      0.5487000      0.3755000    
 H   -1.240800      -2.406100      0.1560000    
 H   -1.168500      -1.416800       1.617400    
 H   -3.642100      -1.074100       1.478700    
 H   -3.727400      -1.992600     -2.6300000E-02
 H    1.192100      -1.711100       1.813000    
 H    1.194300      -2.728000      0.3707000    
 H   -4.551500      0.9440000      0.3126000    
 H   -4.615200      5.4200001E-02  -1.202700    
 H   -6.158800     -0.6975000       1.340500    
 H   -6.216000      -1.590500     -0.1738000    
 H   0.1012000      -1.776700      -1.784300    
 H    1.351600     -0.5401000      -1.656200    
 H  -0.2871000     -3.9000001E-02  -1.748100    
 H    2.106400      0.8851000      0.8731000    
 H    3.460800      -3.075900     -0.1251000    
 H    5.686500      -2.198400     -0.6512000    
 H    3.660600       2.801800      0.6823000    
 H    7.259200     -0.2657000     -0.8295000    
 H    5.898800       3.677200      0.1524000    
 H    7.695100       2.146000     -0.6024000    
 H   -7.206400       1.333900       1.603400    
 H   -8.025500       2.876500     -8.7200001E-02


%chk=000004149-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004149

0 1
O -7.404536 0.874444 -1.059980
O -8.996665 2.148471 0.628526
N 0.265219 -1.140922 -0.369894
N -7.915314 1.329758 1.110095
C -2.184911 -0.514997 -0.272770
C -1.083162 -1.521854 0.117729
C -3.532462 -0.833951 0.413889
C 1.341405 -1.935413 0.267501
C -4.653412 0.144750 0.002861
C 2.718361 -1.279390 0.179968
C -5.996610 -0.167628 0.708107
C 0.376099 -1.154088 -1.845194
C 2.860226 0.111341 0.142800
C 4.152910 0.728714 0.112769
C 3.895116 -2.100676 0.184745
C 5.337186 -0.107890 0.126773
C 5.169379 -1.531466 0.163053
C -7.128472 0.697581 0.180163
C 4.314812 2.154230 0.071649
C 6.630831 0.511253 0.099153
C 5.587315 2.730091 0.046600
C 6.756055 1.901928 0.060368
H -2.336518 -0.510830 -1.369895
H -1.846446 0.501050 0.010245
H -1.380901 -2.543732 -0.241146
H -1.033543 -1.572873 1.223672
H -3.398509 -0.806290 1.515944
H -3.840727 -1.870564 0.161291
H 1.075690 -2.055427 1.337746
H 1.406978 -2.972199 -0.154723
H -4.346533 1.183529 0.237046
H -4.817443 0.102002 -1.090168
H -5.894376 -0.052098 1.805641
H -6.266057 -1.225484 0.517147
H 0.164662 -2.163110 -2.282345
H 1.397555 -0.858746 -2.138138
H -0.325160 -0.429918 -2.291436
H 1.953941 0.728524 0.127786
H 3.782959 -3.192249 0.202848
H 6.060609 -2.170835 0.166484
H 3.419487 2.787506 0.060772
H 7.523914 -0.125656 0.109164
H 5.698213 3.819743 0.016009
H 7.748258 2.366323 0.040022
H -7.851480 1.329903 2.125829
H -8.879341 2.027845 -0.372105


