%chk=000054534.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054534

0 1
 O   -1.867500      6.3500002E-02 -0.4112000    
 O    5.756300      0.2053000     -0.1034000    
 O   -1.243100      -1.870600      0.6373000    
 N   -5.492400      0.7222000     -0.2591000    
 N   0.3104000     -0.4808000     -0.4281000    
 C   -6.360100       1.676300     -0.9516000    
 C   -5.664300      0.6968000       1.197300    
 C   -7.670800       1.005500      -1.372600    
 C   -7.097500      0.7400000       1.736400    
 C   -8.665200      0.7228000     -0.2505000    
 C   -8.107600     -6.9100000E-02  0.9296000    
 C   -4.083700      0.9457000     -0.5897000    
 C   -3.220800     -0.1855000     -5.3700000E-02
 C  -0.9449000     -0.8693000     -2.0999999E-03
 C    7.535700       1.681800      0.5181000    
 C    1.542000      -1.144500     -0.2266000    
 C    6.963400      0.7889000     -0.5735000    
 C    3.920200      -1.243300     -0.5355000    
 C    8.830300       2.356300      7.3399998E-02
 C    5.181100     -0.6581000      -1.076300    
 C    2.705000     -0.5886000     -0.7357000    
 C    1.562800      -2.337900      0.4777000    
 C    3.956800      -2.445300      0.1713000    
 C    9.375700       3.280400       1.150400    
 C    2.778100      -2.992500      0.6779000    
 H   -5.884300       2.012500      -1.882600    
 H   -6.537500       2.584200     -0.3621000    
 H   -5.109200       1.515500       1.674500    
 H   -5.247000     -0.2417000       1.580000    
 H   -8.167800       1.651100      -2.107900    
 H   -7.448000      6.8400003E-02  -1.900200    
 H   -7.079200      0.3522000       2.763200    
 H   -7.432000       1.782000       1.815600    
 H   -9.078100       1.673300      0.1108000    
 H   -9.510500      0.1669000     -0.6751000    
 H   -7.678900      -1.021300      0.5966000    
 H   -8.949400     -0.3167000       1.588300    
 H   -3.724300       1.913200     -0.2148000    
 H   -3.946300      0.9750000      -1.678800    
 H   -3.255500     -0.2439000       1.038300    
 H   -3.539900      -1.144800     -0.4793000    
 H    6.789800       2.437500      0.7948000    
 H    7.708600       1.086300       1.423300    
 H   0.3568000      0.3903000     -0.9513000    
 H    6.757500       1.379900      -1.473600    
 H    7.680600     -1.1000000E-03 -0.8255000    
 H    9.583200       1.596100     -0.1654000    
 H    8.654000       2.936400     -0.8398000    
 H    4.974200     -9.7999997E-02  -1.997000    
 H    5.889000      -1.456400      -1.332500    
 H    2.675000      0.3495000      -1.284300    
 H   0.6941000      -2.822200      0.8993000    
 H    4.897600      -2.963900      0.3359000    
 H    8.658900       4.073300       1.387100    
 H    9.591900       2.726700       2.069600    
 H    10.30360       3.751600      0.8114000    
 H    2.807900      -3.928400       1.228700    


%chk=000054534-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054534

0 1
O -1.486039 -0.015210 0.016055
O 5.418687 -0.057058 -0.140409
O -1.331020 -2.360995 -0.164663
N -4.989838 1.249035 0.369470
N 0.569891 -0.939161 -0.077841
C -5.724204 2.289825 -0.384375
C -5.534297 0.845342 1.682956
C -6.785165 1.688978 -1.342298
C -7.076961 0.742721 1.732808
C -8.030016 1.090756 -0.646184
C -7.732463 0.081133 0.492634
C -3.516997 1.270700 0.326175
C -2.969289 -0.125416 -0.016157
C -0.783114 -1.233288 -0.085108
C 6.526013 2.097464 -0.059743
C 1.663091 -1.845843 -0.158630
C 6.740031 0.583160 -0.130960
C 4.103801 -2.108557 -0.223932
C 7.856515 2.885338 -0.052872
C 5.502195 -1.513900 -0.211705
C 2.966666 -1.282118 -0.145100
C 1.493894 -3.250737 -0.250606
C 3.940234 -3.514446 -0.316673
C 7.637960 4.411999 0.017582
C 2.642732 -4.068188 -0.328611
H -4.992269 2.856209 -0.991182
H -6.206659 3.032081 0.294068
H -5.201668 1.544558 2.494864
H -5.106394 -0.146484 1.933933
H -7.118779 2.477188 -2.050007
H -6.278124 0.905316 -1.938166
H -7.332031 0.171963 2.647416
H -7.519421 1.749848 1.870066
H -8.641865 1.915785 -0.223093
H -8.660528 0.599529 -1.414680
H -7.084180 -0.734160 0.116323
H -8.690578 -0.383546 0.799633
H -3.068142 1.604060 1.291905
H -3.174579 1.979896 -0.448725
H -3.290459 -0.891647 0.711442
H -3.290512 -0.442326 -1.023942
H 5.907839 2.409410 -0.923906
H 5.944187 2.332175 0.852749
H 0.793587 0.056006 -0.009357
H 7.299931 0.307474 -1.054002
H 7.327289 0.225930 0.745949
H 8.474610 2.561096 0.809337
H 8.437649 2.637824 -0.964811
H 6.053028 -1.818267 -1.131487
H 6.075315 -1.903957 0.661074
H 3.113895 -0.198992 -0.076204
H 0.489585 -3.678476 -0.261096
H 4.818287 -4.169031 -0.379684
H 7.047703 4.767916 -0.847588
H 7.088919 4.691961 0.936119
H 8.599542 4.957043 0.018659
H 2.517215 -5.154419 -0.400416


