%chk=000126416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126416

0 1
 O    3.438900     -0.1274000       1.924900    
 O   -6.322400     -6.0600001E-02 -0.5417000    
 O   -5.073000       1.510000      0.5248000    
 N    3.582200     -6.7500003E-02  0.4717000    
 N  -0.6301000      0.2326000     -0.3426000    
 C    3.053800       1.260800      4.8200000E-02
 C    2.903300      -1.278300     -7.2099999E-02
 C   0.8174000      0.1453000     -0.5475000    
 C    1.507900       1.335900      0.1287000    
 C    1.358800      -1.178200      8.2999999E-03
 C    3.649500       2.373200      0.9560000    
 C    3.533300       1.618400      -1.377900    
 C    3.346000      -1.553900      -1.528000    
 C    3.358100      -2.533600      0.7241000    
 C   -1.306000     -0.9265000     -0.9296000    
 C   -1.159600       1.471600     -0.9160000    
 C   -2.816500     -0.8910000     -0.6877000    
 C   -3.184500     -0.8450000      0.8005000    
 C   -4.694000     -0.8227000       1.025500    
 C   -5.362900      0.3366000      0.3306000    
 H    1.021000      0.1813000      -1.624800    
 H    1.199900       1.379500       1.183100    
 H    1.216100       2.288400     -0.3266000    
 H   0.9678000      -2.041100     -0.5415000    
 H    1.039300      -1.289200       1.054300    
 H    3.309800       2.290300       1.994600    
 H    4.745500       2.340300      0.9553000    
 H    3.348300       3.369400      0.6101000    
 H    3.390200       2.686700      -1.583700    
 H    4.602900       1.410500      -1.499300    
 H    2.992300       1.097100      -2.166800    
 H    3.079900      -2.573900      -1.832600    
 H    2.874800     -0.9008000      -2.261700    
 H    4.433300      -1.462500      -1.634800    
 H    3.024300      -2.509000       1.767500    
 H    2.943600      -3.450300      0.2875000    
 H    4.450300      -2.630300      0.7207000    
 H   -1.112300      -1.001500      -2.007400    
 H  -0.9807000      -1.863000     -0.4685000    
 H  -0.9547000       1.554500      -1.989700    
 H  -0.7689000       2.361400     -0.4147000    
 H   -2.237300       1.578900     -0.7663000    
 H    4.376500     -0.1948000       2.173800    
 H   -3.293200     -8.4899999E-02  -1.253300    
 H   -3.238800      -1.813100      -1.110700    
 H   -2.759400      -1.715200       1.314600    
 H   -2.750800      4.6300001E-02   1.268500    
 H   -5.131700      -1.760900      0.6641000    
 H   -4.925800     -0.7556000       2.094000    
 H   -6.747700      0.7013000     -0.9899000    


%chk=000126416-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126416

0 1
O 3.192701 0.109033 2.077676
O -6.735170 -0.019359 0.785306
O -4.845252 1.257283 0.371630
N 3.593447 -0.034632 0.604514
N -0.650205 0.331576 -0.555146
C 3.133439 1.280177 -0.034461
C 2.844981 -1.289500 0.136256
C 0.846243 0.200949 -0.642313
C 1.580576 1.421899 -0.039451
C 1.305376 -1.065069 0.129831
C 3.751407 2.438142 0.789792
C 3.729836 1.385609 -1.467205
C 3.382926 -1.714176 -1.259869
C 3.199067 -2.435242 1.117742
C -1.331664 -0.669750 -1.420605
C -1.180701 1.691870 -0.806360
C -2.842238 -0.828112 -1.129254
C -3.136086 -1.125885 0.357108
C -4.640574 -1.205115 0.679433
C -5.351624 0.132759 0.583590
H 1.141931 0.109652 -1.721524
H 1.236343 1.554884 1.004639
H 1.337057 2.344204 -0.598180
H 0.832192 -1.975796 -0.282178
H 0.954649 -0.953792 1.172952
H 3.355104 2.451892 1.816603
H 4.851654 2.333958 0.832283
H 3.514540 3.403769 0.307070
H 3.725822 2.446592 -1.776385
H 4.774791 1.029647 -1.472050
H 3.163220 0.823949 -2.224962
H 3.139968 -2.779663 -1.424304
H 2.942576 -1.147690 -2.093934
H 4.480743 -1.602430 -1.297129
H 2.818337 -2.225170 2.128860
H 2.750311 -3.380126 0.760444
H 4.295559 -2.571937 1.169164
H -1.200970 -0.415239 -2.506645
H -0.844937 -1.649238 -1.264537
H -0.982610 2.060476 -1.845858
H -0.750007 2.411962 -0.093772
H -2.271101 1.694472 -0.641224
H 4.076708 0.042844 2.522159
H -3.389177 0.082340 -1.435070
H -3.224237 -1.654363 -1.764145
H -2.661493 -2.086624 0.638779
H -2.653866 -0.346790 0.973554
H -5.166727 -1.915754 0.012157
H -4.807436 -1.583863 1.707484
H -7.170732 0.874877 0.733534


