%chk=000025727.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025727

0 1
 O   0.8338000     -0.9046000     -0.3384000    
 O   -1.826300      7.4000000E-03   1.890700    
 O   0.4215000      -1.420600       1.869700    
 N    4.261100     -0.8106000      4.6799999E-02
 C   -2.122300     -0.8522000     -0.3047000    
 C   -2.437500      -2.254800      0.2056000    
 C   -3.509200     -0.2266000     -0.4140000    
 C   -1.186900     -7.9000004E-02  0.6081000    
 C   -3.692900      -2.656100     -0.5628000    
 C   -4.376500      -1.350300     -0.9720000    
 C    2.064300      -1.611700     -0.2716000    
 C   0.1006000     -0.8861000      0.8150000    
 C  -0.8545000       1.357100      0.1981000    
 C    2.801800      -1.520600      -1.605400    
 C    2.981400     -0.9382000      0.7478000    
 C    3.917600     -0.5214000      -1.344400    
 C  -0.7299000       1.648000      -1.141100    
 C  -0.6927000       2.303300       1.184000    
 C    5.119500      0.2078000      0.6328000    
 C  -0.4268000       2.957200      -1.514900    
 C  -0.3896000       3.612500      0.8101000    
 C  -0.2567000       3.939600     -0.5393000    
 H   -1.698300     -0.9629000      -1.311700    
 H   -2.670500      -2.280600       1.274700    
 H   -1.620900      -2.962000      2.7200000E-02
 H   -3.530500      0.6513000      -1.066700    
 H   -3.904000      7.6300003E-02  0.5628000    
 H   -4.349700      -3.284800      4.6900000E-02
 H   -3.426600      -3.231400      -1.457100    
 H   -4.427100      -1.285800      -2.065100    
 H   -5.401500      -1.290300     -0.5923000    
 H    1.869200      -2.664000     -3.0500000E-02
 H    2.159400      -1.206100      -2.433600    
 H    3.237300      -2.496800      -1.852500    
 H    2.597900      4.3800000E-02   1.054200    
 H    3.103200      -1.556600       1.643300    
 H    4.763400     -0.6766000      -2.021400    
 H    3.544800      0.5032000      -1.469500    
 H   -1.755000     -0.8491000       2.343000    
 H  -0.8395000      0.9050000      -1.922400    
 H  -0.7690000       2.078700       2.242800    
 H    6.071400      0.2603000      9.3099996E-02
 H    4.660800       1.203000      0.6155000    
 H    5.355400     -4.3900002E-02   1.672500    
 H  -0.3189000       3.211200      -2.565500    
 H  -0.2520000       4.376600       1.569700    
 H  -1.8600000E-02   4.958500     -0.8303000    


%chk=000025727-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025727

0 1
O 0.836010 -1.154744 0.025629
O -2.038663 -0.196529 2.064298
O 0.418510 -1.212951 2.314366
N 4.236891 -0.705971 -0.314476
C -2.028070 -0.786369 -0.314025
C -2.372033 -2.283198 -0.071712
C -3.409788 -0.133462 -0.571767
C -1.230606 -0.119690 0.846907
C -3.670672 -2.559640 -0.903643
C -4.109360 -1.173815 -1.478328
C 2.177151 -1.818234 0.254459
C 0.084934 -0.884060 1.145510
C -0.887077 1.357510 0.521484
C 2.678523 -2.257840 -1.135517
C 3.207060 -0.769140 0.757069
C 3.564249 -1.075999 -1.582491
C -0.066292 1.699756 -0.584538
C -1.434469 2.389881 1.319362
C 5.024759 0.532878 -0.338217
C 0.200606 3.054215 -0.882629
C -1.165083 3.744746 1.020322
C -0.346733 4.083279 -0.081172
H -1.413712 -0.692684 -1.231067
H -2.572680 -2.427970 1.005305
H -1.538681 -2.951350 -0.355912
H -3.336153 0.866133 -1.034626
H -3.944761 -0.029641 0.390666
H -4.458567 -2.979272 -0.252126
H -3.498226 -3.292988 -1.712111
H -3.745737 -1.061836 -2.518436
H -5.207157 -1.051716 -1.499308
H 2.007472 -2.640574 0.967135
H 1.841567 -2.475443 -1.818392
H 3.297889 -3.164791 -1.025665
H 2.683706 0.207655 0.899627
H 3.658783 -1.052328 1.723748
H 4.306434 -1.355005 -2.350841
H 2.930733 -0.247853 -1.994266
H -1.431577 -0.486124 2.802327
H 0.369244 0.910916 -1.206848
H -2.076938 2.111843 2.159556
H 5.794713 0.471871 -1.127897
H 4.403229 1.445873 -0.524642
H 5.542600 0.667259 0.628368
H 0.835107 3.306268 -1.740238
H -1.597826 4.534278 1.645366
H -0.138808 5.133957 -0.313415


