%chk=000090863.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090863

0 1
 O   -1.869500      -3.319800     -0.4331000    
 O    3.817000       2.279700      0.1972000    
 N  -0.6918000      -1.352600      9.5100001E-02
 N    2.606200      0.3930000     -0.4188000    
 C   0.6099000     -0.7363000      0.4598000    
 C   0.4406000      0.2188000       1.641100    
 C    1.273400     -7.6499999E-02 -0.7547000    
 C  -0.5221000       1.343100       1.306500    
 C   -1.757700      0.8344000      0.6107000    
 C   -1.828300     -0.4528000      2.9500000E-02
 C    3.541800     -0.6370000      3.1800002E-02
 C  -0.8255000      -2.737500     -0.1283000    
 C   -2.856000       1.710500      0.5272000    
 C   -3.016200     -0.8038000     -0.6372000    
 C   -4.025700       1.329000     -0.1196000    
 C    2.970200       1.738800     -0.5193000    
 C   -4.103200      7.3600002E-02 -0.7050000    
 C    4.012500     -0.3395000       1.452600    
 C    4.721500     -0.7084000     -0.9326000    
 C   0.4148000      -3.579600      6.9499999E-02
 C   -5.181900       2.266400     -0.1965000    
 C    2.270000       2.556100      -1.575800    
 H    1.249900      -1.523900      0.8515000    
 H    1.380400      0.6620000       1.973000    
 H   4.4100001E-02 -0.3462000       2.496100    
 H   0.6491000      0.7307000      -1.144500    
 H    1.378700     -0.8024000      -1.570700    
 H  -3.5799999E-02   2.085500      0.6643000    
 H  -0.8018000       1.852500       2.237000    
 H    3.070500      -1.623500      5.9000002E-03
 H   -2.785400       2.701000      0.9730000    
 H   -3.138700      -1.733400      -1.178800    
 H   -4.999700     -0.2351000      -1.236900    
 H    4.652400      -1.160700       1.798500    
 H    4.616400      0.5668000       1.536200    
 H    3.189900     -0.2734000       2.164400    
 H    4.377200     -0.9007000      -1.954900    
 H    5.402700      -1.518000     -0.6495000    
 H    5.299900      0.2216000     -0.9477000    
 H   0.7108000      -3.580300       1.121700    
 H    1.228200      -3.227600     -0.5693000    
 H   0.1967000      -4.613400     -0.2182000    
 H    2.911000       3.394700      -1.864700    
 H    2.079700       1.958200      -2.471200    
 H    1.331500       2.950600      -1.179300    
 H   -5.090000       2.905200      -1.080600    
 H   -6.130400       1.721800     -0.2551000    
 H   -5.232900       2.903000      0.6934000    


%chk=000090863-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090863

0 1
O -1.908039 -3.340176 -0.062240
O 4.266736 2.060029 -0.363636
N -0.700852 -1.347254 0.266859
N 2.622296 0.411330 -0.403884
C 0.589675 -0.700318 0.648961
C 0.360499 0.247018 1.845852
C 1.230228 -0.035263 -0.614276
C -0.681823 1.335640 1.530273
C -1.820945 0.839824 0.647628
C -1.823037 -0.454124 0.049215
C 3.639235 -0.675845 -0.174564
C -0.811696 -2.750868 0.178797
C -2.907758 1.713831 0.397267
C -2.915440 -0.822955 -0.785147
C -4.002050 1.358590 -0.420045
C 3.051461 1.731138 -0.553024
C -3.978622 0.068386 -1.010732
C 4.329974 -0.552436 1.203238
C 4.657907 -0.765269 -1.335759
C 0.458532 -3.584473 0.385242
C -5.163983 2.307856 -0.652288
C 2.031292 2.788144 -0.985255
H 1.268565 -1.494392 0.990994
H 1.322130 0.702990 2.143849
H 0.011900 -0.370787 2.694922
H 0.606599 0.810244 -0.941121
H 1.203635 -0.788655 -1.429341
H -0.194216 2.197797 1.033548
H -1.095379 1.737241 2.474710
H 3.053975 -1.617036 -0.181290
H -2.891194 2.706389 0.867924
H -2.934859 -1.815137 -1.234467
H -4.806343 -0.246856 -1.657688
H 4.998171 -1.418220 1.366166
H 4.927985 0.371378 1.244563
H 3.588436 -0.530299 2.023143
H 4.142277 -0.873984 -2.307568
H 5.308246 -1.647513 -1.190819
H 5.287124 0.137640 -1.366964
H 0.818217 -3.548244 1.430414
H 1.288305 -3.279707 -0.278384
H 0.188161 -4.625177 0.153394
H 2.573607 3.741951 -1.061766
H 1.585797 2.554743 -1.969753
H 1.208439 2.911259 -0.259359
H -5.379542 2.425657 -1.730554
H -6.089922 1.931019 -0.177077
H -4.959306 3.309492 -0.236255


