%chk=000053199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053199

0 1
 O    4.684500     -0.1595000      9.1899998E-02
 O    3.192600      -1.918900      -1.422400    
 O   -3.957100       2.045200      -2.091200    
 N   -1.430300       1.842800      2.6300000E-02
 N   -3.742900     -1.3300000E-02  -1.092700    
 N    3.483600       1.972500       1.397900    
 C  -0.9623000      0.4865000     -0.3385000    
 C   0.5539000      0.3310000     -0.2206000    
 C  -0.8600000       2.277200       1.309400    
 C   0.6580000       2.416000       1.202300    
 C    1.312100       1.229900      0.5485000    
 C   -1.788800     -0.6467000      0.2828000    
 C   -2.886500       1.991900      5.5000000E-02
 C    2.700600       1.062600      0.6459000    
 C    1.207400     -0.7221000     -0.8843000    
 C   -3.090200     -0.9003000     -0.2066000    
 C   -3.542500       1.356900      -1.157500    
 C   -1.270600      -1.504300       1.266800    
 C    3.333600      5.5999998E-03 -6.6999998E-03
 C    2.587700     -0.8850000     -0.7734000    
 C   -3.775200      -2.061700      0.1685000    
 C   -1.985100      -2.630500       1.680700    
 C   -3.223700      -2.921100       1.115800    
 C    5.488200      0.4940000     -0.8870000    
 C    3.313000      -3.149000     -0.7110000    
 H   -1.116400      0.4100000      -1.426400    
 H   -1.120600       1.573500       2.111200    
 H   -1.266500       3.254500       1.599300    
 H    1.038200       2.555700       2.220700    
 H   0.9021000       3.312200      0.6177000    
 H   -3.141500       3.059000      4.2800002E-02
 H   -3.336400       1.575900      0.9661000    
 H   0.6330000      -1.421100      -1.488700    
 H  -0.2930000      -1.329200       1.707400    
 H   -4.448800     -0.4116000      -1.706200    
 H   -4.759500      -2.282100     -0.2373000    
 H   -1.562800      -3.293000       2.430900    
 H    3.075500       2.783700       1.838700    
 H    4.480100       1.817200       1.479600    
 H   -3.768000      -3.808000       1.426800    
 H    5.310700       1.574000     -0.8834000    
 H    5.286100      8.5900001E-02  -1.882300    
 H    6.538600      0.3128000     -0.6434000    
 H    2.324000      -3.541100     -0.4531000    
 H    3.911300      -3.013100      0.1955000    
 H    3.817900      -3.871200      -1.358300    


%chk=000053199-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053199

0 1
O 4.731155 -0.052975 0.133832
O 3.165514 -1.925126 -1.485775
O -4.135124 2.120078 -2.123054
N -1.465511 1.858316 0.095155
N -3.689294 0.023024 -1.236875
N 3.470851 1.951439 1.469365
C -0.995999 0.514886 -0.372275
C 0.513383 0.360322 -0.188250
C -0.946004 2.210736 1.436798
C 0.580111 2.385396 1.374664
C 1.254231 1.244092 0.631709
C -1.816119 -0.645804 0.231391
C -2.943443 2.020819 0.036366
C 2.674179 1.090967 0.717909
C 1.157778 -0.698682 -0.873468
C -3.135483 -0.867643 -0.264550
C -3.605793 1.421817 -1.211808
C -1.323944 -1.514904 1.233505
C 3.316533 0.038581 0.005025
C 2.549734 -0.871993 -0.760828
C -3.900660 -1.973295 0.181448
C -2.092984 -2.603254 1.702437
C -3.376232 -2.844903 1.158369
C 5.466389 0.161326 -1.137543
C 3.821410 -2.944692 -0.637150
H -1.192208 0.497656 -1.463219
H -1.216444 1.441399 2.203111
H -1.418198 3.160819 1.747606
H 0.969576 2.459306 2.412380
H 0.808433 3.346977 0.869802
H -3.177610 3.098442 0.031609
H -3.443054 1.556901 0.925138
H 0.590923 -1.401725 -1.491281
H -0.308523 -1.358016 1.613074
H -4.276111 -0.361371 -1.984249
H -4.907986 -2.132730 -0.221378
H -1.688755 -3.268215 2.473248
H 3.085235 2.757908 1.946901
H 4.467887 1.755079 1.517985
H -3.970940 -3.698301 1.502164
H 5.266110 1.176565 -1.529558
H 5.167165 -0.592430 -1.886915
H 6.533007 0.055088 -0.885024
H 3.070154 -3.455089 -0.004135
H 4.599477 -2.487741 0.001421
H 4.271182 -3.665349 -1.337577


