%chk=000127571.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127571

0 1
 O  -0.7485000       1.555400     -0.3803000    
 O   -3.604900       1.972600     -0.5130000    
 N    2.778700      0.8746000      0.7571000    
 C   0.3437000     -0.5334000      6.7599997E-02
 C    1.303800      -1.129200       1.085400    
 C   0.3804000      0.9885000      0.3127000    
 C    2.718200     -0.6090000      0.7268000    
 C   0.7041000      -1.019500      -1.364900    
 C    3.134400      -1.266000     -0.6029000    
 C    1.737100       1.596900      5.2999998E-03
 C    2.183700     -0.9676000      -1.755400    
 C   -1.135000     -0.6503000      0.2291000    
 C   -1.702800      0.5844000     -0.1155000    
 C    4.104600       1.408000      0.4668000    
 C   -1.932400      -1.728000      0.5586000    
 C   -3.066900      0.7774000     -0.1698000    
 C   -3.318400      -1.546700      0.5291000    
 C   -3.879800     -0.3080000      0.1634000    
 H    1.270900      -2.225800       1.063800    
 H    1.039800     -0.8367000       2.110300    
 H   0.1989000       1.205500       1.383000    
 H    3.398900     -0.9791000       1.504700    
 H   0.1272000     -0.4777000      -2.126100    
 H   0.3873000      -2.069300      -1.453000    
 H    1.921500       1.635100      -1.071100    
 H    1.720700       2.647900      0.3224000    
 H    3.162000      -2.354100     -0.4542000    
 H    4.156000     -0.9855000     -0.8828000    
 H    2.423500      7.4000000E-03  -2.189000    
 H    2.365500      -1.682900      -2.567400    
 H    4.150100       2.473400      0.7191000    
 H    4.376300       1.300800     -0.5885000    
 H    4.868000      0.9113000       1.075600    
 H   -1.505300      -2.691200      0.8137000    
 H   -3.974100      -2.376400      0.7804000    
 H   -4.962700     -0.2094000      0.1456000    
 H   -4.574500       1.899800     -0.4859000    


%chk=000127571-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127571

0 1
O -0.774509 1.590795 -0.322735
O -3.632677 2.008522 -0.558400
N 2.816448 0.875886 0.693610
C 0.348245 -0.516285 0.120555
C 1.350451 -1.129192 1.114972
C 0.440303 1.018484 0.348495
C 2.762217 -0.623306 0.694516
C 0.671999 -1.016674 -1.334506
C 3.156569 -1.307617 -0.649282
C 1.769930 1.634283 -0.051759
C 2.159075 -0.969874 -1.783818
C -1.167904 -0.663533 0.294258
C -1.740526 0.581385 -0.075348
C 4.164954 1.433264 0.505670
C -1.986535 -1.771181 0.576875
C -3.134860 0.751865 -0.176618
C -3.392655 -1.606850 0.501880
C -3.957288 -0.365615 0.123397
H 1.339496 -2.235220 1.084521
H 1.122358 -0.811150 2.148894
H 0.292794 1.193628 1.435490
H 3.490905 -0.941070 1.467450
H 0.048158 -0.452850 -2.053922
H 0.317125 -2.066228 -1.373054
H 1.897462 1.633516 -1.157326
H 1.817081 2.689136 0.279496
H 3.183250 -2.403199 -0.475257
H 4.181688 -1.012785 -0.946367
H 2.397619 0.028259 -2.191860
H 2.294224 -1.678376 -2.624305
H 4.160790 2.506878 0.771402
H 4.556633 1.347625 -0.538138
H 4.877257 0.919691 1.176972
H -1.552239 -2.737607 0.854724
H -4.056770 -2.445581 0.736042
H -5.049077 -0.258104 0.068349
H -4.621989 1.992280 -0.584171


