%chk=000002905.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002905

0 1
 O    2.291700      -1.049200       1.376800    
 O   -1.557300     -9.6400000E-02 -0.2814000    
 O  -0.5392000     -0.9251000       1.610900    
 N   -5.233000      7.6700002E-02 -3.2200001E-02
 C    1.861500      -1.273800      3.5100002E-02
 C    3.077700      -1.226200     -0.8862000    
 C    1.384300      -2.716200     -0.1186000    
 C    3.758400      -2.579800     -0.6835000    
 C    2.674900      -3.531900     -0.1753000    
 C   0.8011000     -0.2441000     -0.3214000    
 C    1.297400       1.188100     -0.1612000    
 C  -0.4825000     -0.4793000      0.4721000    
 C    1.998000       1.768800      -1.197200    
 C    1.030000       1.856700       1.014600    
 C   -2.835700     -0.2432000      0.3454000    
 C    2.452600       3.079400      -1.050400    
 C    1.484500       3.167300       1.161400    
 C    2.195800       3.778500      0.1289000    
 C   -3.911000      0.2245000     -0.6224000    
 C   -6.268700      0.5431000     -0.9572000    
 C   -5.480400      -1.318000      0.3419000    
 H    3.778200     -0.4204000     -0.6445000    
 H    2.779000      -1.136000      -1.937500    
 H   0.8282000      -2.850500      -1.054400    
 H   0.7604000      -3.061600      0.7115000    
 H    4.207400      -2.938700      -1.615400    
 H    4.564000      -2.501300      5.5599999E-02
 H    2.941000      -3.903400      0.8212000    
 H    2.563400      -4.404300     -0.8274000    
 H   0.5257000     -0.3942000      -1.376900    
 H    2.969200      -1.702500       1.615100    
 H    2.192200       1.241200      -2.125500    
 H   0.4977000       1.410100       1.846700    
 H   -2.940900      -1.302800      0.5969000    
 H   -2.858600      0.3552000       1.264300    
 H    3.003900       3.556500      -1.855400    
 H    1.288500       3.710800       2.081100    
 H    2.550000       4.798800      0.2433000    
 H   -3.820500     -0.3286000      -1.567200    
 H   -3.719700       1.276700     -0.8701000    
 H   -7.257500      0.4899000     -0.4879000    
 H   -6.104100       1.594100      -1.220000    
 H   -6.291900     -4.4799998E-02  -1.882000    
 H   -6.529800      -1.454000      0.6316000    
 H   -5.270700      -2.015700     -0.4771000    
 H   -4.907400      -1.611200       1.226800    


%chk=000002905-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002905

0 1
O 2.210326 -1.317885 1.693146
O -1.495306 -0.223295 -0.279041
O -0.531107 -0.929353 1.709553
N -5.235336 0.021768 -0.204422
C 1.977638 -1.400555 0.232895
C 3.370553 -1.202591 -0.433498
C 1.574127 -2.861652 -0.132721
C 3.885901 -2.624130 -0.824498
C 2.924993 -3.611186 -0.106996
C 0.913337 -0.349974 -0.236098
C 1.334034 1.127150 -0.133375
C -0.408329 -0.542239 0.515382
C 1.067581 1.994106 -1.224038
C 1.958922 1.655302 1.026398
C -2.842283 -0.272299 0.373129
C 1.420306 3.360586 -1.165294
C 2.311661 3.022160 1.083647
C 2.043369 3.880695 -0.007586
C -3.857923 -0.011076 -0.745247
C -6.162624 0.795150 -1.055699
C -5.770950 -1.317744 0.117731
H 4.029555 -0.711992 0.301812
H 3.302111 -0.533949 -1.310377
H 1.146849 -2.893352 -1.156291
H 0.823829 -3.272062 0.566685
H 3.819175 -2.768312 -1.920297
H 4.940208 -2.780237 -0.536604
H 3.241464 -3.753070 0.942227
H 2.880494 -4.601597 -0.594364
H 0.695672 -0.551994 -1.300873
H 1.310928 -1.378195 2.128193
H 0.577196 1.596820 -2.121299
H 2.185851 0.984200 1.860166
H -2.960816 -1.258835 0.853606
H -2.893189 0.509888 1.149305
H 1.210541 4.015753 -2.018447
H 2.798567 3.417123 1.982697
H 2.317419 4.940638 0.042499
H -3.727670 -0.775231 -1.552151
H -3.631685 0.974382 -1.190737
H -7.144928 0.870564 -0.555842
H -5.774617 1.819140 -1.197523
H -6.326091 0.341184 -2.065983
H -6.766989 -1.212276 0.582580
H -5.875715 -1.974953 -0.783070
H -5.119246 -1.833374 0.843619


