%chk=000068874.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068874

0 1
 O   -3.969000       1.882600      0.2138000    
 O   -6.788200       2.782900     -0.1930000    
 O    3.419000      -2.571800     -0.9813000    
 O    7.757800     -0.2577000      8.0700003E-02
 N   -5.736900     -0.7625000     -4.4000000E-03
 N    1.727800      -1.024700     -0.5190000    
 C   -6.181000       1.581100     -0.6759000    
 C   -6.361100      0.4943000      0.3866000    
 C   -5.874000      -1.761400       1.046900    
 C   -5.205000      -3.069100      0.6267000    
 C    1.390500      0.2573000     -7.7500001E-02
 C   -4.717500       1.872500      -1.000700    
 C    3.736100      0.7926000      0.2411000    
 C    4.112700     -0.4814000     -0.1951000    
 C  -2.2000000E-03  0.6796000     -1.8000000E-03
 C   -3.718700      -2.860400      0.3342000    
 C    2.323200       1.150000      0.2931000    
 C    3.067000      -1.456800     -0.6010000    
 C   -2.668200       1.488100      0.1431000    
 C  -0.7304000      0.4746000       1.170000    
 C  -0.6070000       1.288700      -1.101300    
 C    5.465700     -0.8363000     -0.2493000    
 C    4.721700       1.710200      0.6232000    
 C   0.6655000      -1.952100     -0.9090000    
 C   -2.063500      0.8788000       1.242600    
 C   -1.940000       1.692900      -1.029000    
 C   -3.037900      -4.164300     -5.0400000E-02
 C    6.441100      8.4799998E-02  0.1330000    
 C    6.070200       1.355600      0.5684000    
 C    8.702300      0.7318000      0.4856000    
 H   -6.711700       1.313600      -1.596500    
 H   -5.964200      0.8434000       1.348800    
 H   -7.437000      0.3470000      0.5500000    
 H   -6.932800      -1.957000       1.254200    
 H   -5.411400      -1.404000       1.974900    
 H   -5.705500      -3.479100     -0.2595000    
 H   -5.324800      -3.804700       1.431100    
 H   -6.157000      -1.103600     -0.8683000    
 H   -4.618100       2.849100      -1.488100    
 H   -4.366300       1.083600      -1.678300    
 H   -3.219600      -2.443900       1.217200    
 H   -3.576800      -2.146600     -0.4850000    
 H    2.063600       2.147300      0.6365000    
 H  -0.2744000     -6.0000003E-04   2.035200    
 H  -5.0999999E-02   1.460000      -2.020100    
 H    5.773700      -1.822800     -0.5862000    
 H    4.450900       2.706300      0.9656000    
 H   9.9299997E-02  -1.532800      -1.746100    
 H   7.1000000E-03  -2.137200     -5.5000000E-02
 H    1.075500      -2.913900      -1.230100    
 H   -2.626900      0.7145000       2.157000    
 H   -2.363900       2.188600      -1.897200    
 H   -3.490100      -4.592000     -0.9508000    
 H   -1.976000      -3.992800     -0.2525000    
 H   -3.115200      -4.900000      0.7563000    
 H    6.776400       2.117800      0.8795000    
 H   -6.298700       3.064800      0.5987000    
 H    9.698500      0.2897000      0.3804000    
 H    8.580500      0.9967000       1.541300    
 H    8.671700       1.609400     -0.1692000    


%chk=000068874-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068874

0 1
O -3.576670 1.394774 0.183628
O -5.846351 2.946525 -0.153080
O 4.459449 -2.285499 -0.569132
O 8.531534 0.612039 0.307777
N -6.661580 -0.739949 -0.080054
N 2.617210 -0.909370 -0.128539
C -5.837479 1.547316 -0.599716
C -6.450817 0.614948 0.473464
C -6.853932 -1.817747 0.920889
C -6.983797 -3.198195 0.242980
C 2.064077 0.348295 0.210027
C -4.422168 1.111899 -0.999451
C 4.335192 1.259584 0.516606
C 4.898568 0.001688 0.118200
C 0.586073 0.545295 0.178703
C -5.707854 -3.648010 -0.504349
C 2.901348 1.402231 0.541282
C 4.023825 -1.138309 -0.227015
C -2.210972 1.091693 0.115337
C -0.071706 1.136215 1.294254
C -0.193998 0.239951 -0.967436
C 6.299221 -0.176539 0.059856
C 5.226166 2.321518 0.846115
C 1.772470 -2.111981 -0.327089
C -1.450956 1.406992 1.268587
C -1.578451 0.505303 -1.009686
C -5.882369 -5.004329 -1.220213
C 7.158270 0.887477 0.394823
C 6.617520 2.147585 0.790816
C 9.466938 1.686056 0.648684
H -6.475168 1.535867 -1.503641
H -5.745732 0.534142 1.322503
H -7.377125 1.101506 0.856584
H -7.747534 -1.641055 1.569907
H -5.969441 -1.817613 1.588718
H -7.840259 -3.179806 -0.465424
H -7.242695 -3.947656 1.018260
H -7.422313 -0.749290 -0.775653
H -4.053936 1.704479 -1.858844
H -4.417065 0.028788 -1.225938
H -4.871596 -3.714043 0.221370
H -5.426321 -2.863327 -1.231829
H 2.452504 2.372226 0.769707
H 0.507902 1.369087 2.194092
H 0.288970 -0.187448 -1.852961
H 6.705196 -1.145108 -0.244988
H 4.813233 3.291421 1.147148
H 1.545278 -2.274087 -1.395804
H 0.834188 -2.005150 0.235338
H 2.341736 -2.986258 0.024285
H -1.956581 1.853625 2.130198
H -2.143920 0.263680 -1.913745
H -6.687599 -4.953024 -1.977809
H -4.954111 -5.311681 -1.736096
H -6.149505 -5.803615 -0.502749
H 7.275606 2.982202 1.050867
H -5.095023 3.050774 0.487979
H 10.466075 1.247530 0.511180
H 9.344964 2.010425 1.700740
H 9.347313 2.556655 -0.025565


