%chk=000060654.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060654

0 1
 O   0.3353000      0.8819000      0.2055000    
 O   -6.738400     -0.8404000      7.6800004E-02
 O    1.049100      -1.304900      0.2917000    
 N   -3.623300      0.5576000      -1.043600    
 N    4.218000       1.938800     -0.1200000    
 C   -3.410600       1.340300      0.2021000    
 C   -2.889600     -0.7309000     -0.9385000    
 C   -4.506600     -0.7871000      0.9947000    
 C   -3.961800      0.5764000       1.433300    
 C   -3.421900      -1.572500      0.2496000    
 C   -1.921500       1.693100      0.3412000    
 C   -1.380200     -0.4580000     -0.8429000    
 C   -1.019100      0.4598000      0.3235000    
 C   -5.067700      0.3002000      -1.236100    
 C   -5.570100     -0.4844000     -3.9999999E-02
 C    1.270000     -0.1071000      0.2029000    
 C    2.635600      0.4619000      7.6399997E-02
 C    3.831100     -0.2525000      4.1400000E-02
 C    2.860900       1.788200     -2.0600000E-02
 C    4.836000      0.7090000     -8.4799998E-02
 C    4.196800      -1.611800      0.1014000    
 C    6.193900      0.3777000     -0.1542000    
 C    5.551300      -1.958200      3.3100002E-02
 C    6.532700     -0.9770000     -9.2799999E-02
 H   -3.950600       2.292800      0.1156000    
 H   -3.047300      -1.300200      -1.864500    
 H   -4.927800      -1.353100       1.829900    
 H   -4.774500       1.163900       1.880200    
 H   -3.199900      0.4452000       2.209400    
 H   -2.621300      -1.856300      0.9414000    
 H   -3.852500      -2.504000     -0.1403000    
 H   -1.628600       2.366100     -0.4768000    
 H   -1.746200       2.264000       1.261800    
 H  -0.8801000      -1.428500     -0.7929000    
 H   -1.034700     -7.9999998E-04  -1.780900    
 H   -1.126500     -7.2800003E-02   1.276200    
 H   -5.235800     -0.2800000      -2.149100    
 H   -5.618800       1.243200      -1.310600    
 H    2.216400       2.656500     -3.1599998E-02
 H    4.697700       2.824100     -0.2067000    
 H    3.450000      -2.394000      0.1993000    
 H    6.958700       1.140700     -0.2522000    
 H    5.839400      -3.005100      7.8900002E-02
 H    7.578700      -1.268400     -0.1441000    


%chk=000060654-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060654

0 1
O 0.335245 0.870443 -0.058371
O -6.906392 -0.852429 0.278802
O 1.086256 -1.264461 0.558825
N -3.790303 0.704311 -0.952530
N 4.356987 1.920638 -0.514542
C -3.427502 1.309522 0.376797
C -3.061792 -0.602045 -1.120225
C -4.524250 -0.929806 0.954231
C -3.867792 0.354078 1.554570
C -3.492316 -1.621518 0.006619
C -1.918876 1.650672 0.379846
C -1.541107 -0.326815 -1.164342
C -1.072925 0.400424 0.109648
C -5.258168 0.471387 -1.012152
C -5.715186 -0.490120 0.105195
C 1.343079 -0.085289 0.192327
C 2.676637 0.470360 -0.022317
C 3.941423 -0.236432 0.129200
C 2.979252 1.782032 -0.416976
C 4.982576 0.701033 -0.187415
C 4.289500 -1.561322 0.496164
C 6.351149 0.360486 -0.148684
C 5.654375 -1.909290 0.536161
C 6.672666 -0.962586 0.218702
H -3.989889 2.259038 0.450329
H -3.362610 -1.001641 -2.106623
H -4.862512 -1.615901 1.748461
H -4.579356 0.865247 2.228252
H -3.003240 0.049300 2.174404
H -2.623664 -1.951421 0.606847
H -3.935988 -2.530452 -0.438618
H -1.724241 2.390581 -0.418077
H -1.633640 2.104385 1.346865
H -0.988051 -1.275335 -1.283716
H -1.326440 0.318932 -2.035957
H -1.080649 -0.295005 0.969818
H -5.533974 0.048277 -1.997188
H -5.798622 1.432584 -0.914423
H 2.295734 2.601066 -0.626864
H 4.842701 2.774293 -0.783491
H 3.504269 -2.282709 0.738593
H 7.135746 1.085313 -0.392189
H 5.944234 -2.927933 0.816548
H 7.723855 -1.268492 0.260597


