%chk=000027719.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027719

0 1
 O   -1.659500       1.844800     -0.4185000    
 O    3.766700      0.5934000      0.8995000    
 O  -0.1655000      9.4700001E-02 -0.2322000    
 O    2.677400       2.993600      0.9101000    
 N   0.5432000       2.297700      0.2392000    
 C   -5.210900      -1.272200      0.8276000    
 C   -4.419600      -2.092800       1.882900    
 C   -4.358900     -0.6155000     -0.2052000    
 C   -6.095800     -0.2482000       1.569900    
 C   -3.563000      -3.186000       1.255600    
 C   -3.396100      0.3190000      0.1760000    
 C   -4.524900     -0.9361000      -1.552500    
 C   -2.625100      0.9074000     -0.8005000    
 C   -3.727800     -0.3221000      -2.518700    
 C   -2.764900      0.6123000      -2.137500    
 C  -0.3964000       1.298300     -0.1435000    
 C    1.903600       2.088800      0.5846000    
 C    2.398900      0.6548000      0.5406000    
 C   6.7400001E-02   3.682800      0.2878000    
 C    4.509500     -0.4253000      0.3549000    
 C    3.894800      -1.631300      4.3900002E-02
 C    5.865600     -0.2360000      0.1224000    
 C    4.649200      -2.665800     -0.5092000    
 C    6.620000      -1.270800     -0.4307000    
 C    6.011900      -2.485600     -0.7466000    
 H   -5.897400      -1.971900      0.3307000    
 H   -5.127700      -2.561000       2.577900    
 H   -3.776400      -1.437800       2.483000    
 H   -6.691700      0.3370000      0.8605000    
 H   -6.789000     -0.7584000       2.247500    
 H   -5.501200      0.4523000       2.166200    
 H   -2.760900      -2.769000      0.6393000    
 H   -4.169700      -3.851000      0.6329000    
 H   -3.096200      -3.790800       2.039800    
 H   -3.249600      0.5835000       1.218800    
 H   -5.269800      -1.662200      -1.866800    
 H   -3.856700     -0.5716000      -3.567800    
 H   -2.144900       1.090800      -2.888900    
 H    1.821300      5.9900001E-02   1.255500    
 H    2.250500      0.3086000     -0.4895000    
 H   0.8457000       4.387300      0.5898000    
 H  -0.2986000       3.966700     -0.7044000    
 H  -0.7617000       3.747800       1.000000    
 H    2.843500      -1.820200      0.2380000    
 H    6.342500      0.7088000      0.3670000    
 H    4.177400      -3.614200     -0.7496000    
 H    7.681100      -1.130500     -0.6152000    
 H    6.599600      -3.291700      -1.176000    


%chk=000027719-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027719

0 1
O -1.703860 1.975108 -0.872620
O 3.801036 0.842487 0.195772
O -0.241458 0.213945 -0.312665
O 2.695031 3.212061 -0.280523
N 0.504842 2.457975 -0.541080
C -4.742424 -1.543882 1.114536
C -3.743697 -2.739528 1.093061
C -4.410537 -0.494640 0.050483
C -4.810327 -0.909128 2.529486
C -3.756949 -3.536610 -0.228316
C -3.175122 0.203095 0.092228
C -5.327170 -0.195211 -0.988520
C -2.889467 1.160829 -0.898056
C -5.025426 0.778122 -1.968787
C -3.795535 1.467939 -1.932550
C -0.451208 1.427284 -0.547374
C 1.909641 2.238362 -0.279226
C 2.362688 0.798770 -0.017226
C 0.082669 3.858721 -0.817207
C 4.434156 -0.389551 0.453697
C 3.772393 -1.642060 0.505083
C 5.832207 -0.304486 0.667030
C 4.528975 -2.808186 0.772195
C 6.568371 -1.475211 0.931957
C 5.922148 -2.735694 0.986327
H -5.747380 -1.950557 0.877723
H -3.996352 -3.412692 1.936741
H -2.719760 -2.362959 1.289650
H -5.533955 -0.074865 2.561549
H -5.117113 -1.663156 3.277739
H -3.824480 -0.513008 2.836976
H -3.474502 -2.896875 -1.083686
H -4.763159 -3.949759 -0.432836
H -3.046548 -4.382298 -0.188682
H -2.444636 -0.010856 0.876444
H -6.283920 -0.728849 -1.028722
H -5.745994 0.999464 -2.763288
H -3.535346 2.227427 -2.675351
H 1.834457 0.386610 0.864793
H 2.098089 0.153885 -0.878444
H 0.978425 4.489837 -0.728798
H -0.337080 3.937466 -1.832250
H -0.680468 4.176267 -0.090182
H 2.693636 -1.726481 0.342114
H 6.309810 0.678797 0.619966
H 4.017788 -3.776839 0.811066
H 7.649402 -1.404757 1.096252
H 6.498012 -3.644014 1.192119


