%chk=000062516.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062516

0 1
 O    4.687800       1.358100      0.7680000    
 O    4.305300       2.144100      -1.370300    
 O   -3.773700      0.3038000     -0.1506000    
 N  -0.1321000      0.5436000     -0.6676000    
 C    2.838900      0.4831000     -0.3930000    
 C    2.086500      0.6249000      -1.743200    
 C    1.878500       1.016300      0.7039000    
 C   0.7072000     -4.0199999E-02  -1.719500    
 C   0.4832000      0.3797000      0.6540000    
 C    3.390600     -0.9336000     -0.1753000    
 C    4.018700       1.431700     -0.4177000    
 C   -1.469700     -4.7300000E-02 -0.6892000    
 C    2.998900      -1.670600      0.9424000    
 C    4.283800      -1.483000      -1.095100    
 C   -2.489300      0.9104000     -9.3699999E-02
 C    3.500400      -2.957200       1.140000    
 C    4.785100      -2.769700     -0.8974000    
 C    4.393500      -3.506600      0.2201000    
 C    5.833300       2.208400      0.8816000    
 C   -4.772400       1.143400      0.4122000    
 C    6.460600       2.011100       2.245000    
 C   -6.100900      0.4516000      0.3236000    
 C   -6.907000      0.6311000     -0.8007000    
 C   -6.529800     -0.3713000       1.365200    
 C   -8.141900     -1.2200000E-02 -0.8833000    
 C   -7.764700      -1.014600       1.282300    
 C   -8.570800     -0.8350000      0.1580000    
 H    2.667400      0.2110000      -2.576300    
 H    1.940100       1.687800      -1.985600    
 H    1.755800       2.102800      0.5757000    
 H    2.299900      0.9003000       1.710600    
 H   0.2417000      0.1261000      -2.698900    
 H   0.8091000      -1.125200      -1.589400    
 H   0.5059000     -0.6781000      0.9311000    
 H  -0.1213000      0.8840000       1.416400    
 H   -1.506400      -1.024600     -0.1898000    
 H   -1.788600     -0.2427000      -1.722600    
 H    2.347500      -1.285500       1.715800    
 H    4.609300     -0.9250000      -1.968600    
 H   -2.505200       1.848800     -0.6617000    
 H   -2.254800       1.138000      0.9517000    
 H    3.204500      -3.527800       2.015500    
 H    5.482400      -3.196800      -1.612200    
 H    4.786200      -4.507200      0.3757000    
 H    6.557100       1.951400      0.1002000    
 H    5.525300       3.253200      0.7631000    
 H   -4.808300       2.098600     -0.1265000    
 H   -4.533000       1.364100       1.460000    
 H    5.742300       2.246600       3.037200    
 H    6.756600      0.9662000       2.385000    
 H    7.341700       2.647400       2.366200    
 H   -6.583000       1.267900      -1.619400    
 H   -5.909900     -0.5208000       2.245200    
 H   -8.769300      0.1270000      -1.758800    
 H   -8.098500      -1.655800       2.092800    
 H   -9.532200      -1.336200      9.3500003E-02


%chk=000062516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062516

0 1
O 4.673094 1.587713 0.783800
O 4.721918 1.666530 -1.538740
O -3.811939 0.314190 -0.044386
N -0.108594 0.478088 -0.571728
C 2.880082 0.438100 -0.392735
C 2.091422 0.597938 -1.729682
C 1.956691 0.960498 0.747879
C 0.718825 -0.092931 -1.666598
C 0.567389 0.289655 0.737166
C 3.390233 -1.017982 -0.184119
C 4.162599 1.295630 -0.480143
C -1.495013 -0.048765 -0.580908
C 3.276725 -1.698502 1.054961
C 4.057858 -1.681349 -1.248970
C -2.475420 0.905420 0.115908
C 3.789441 -3.005207 1.217983
C 4.573802 -2.985364 -1.089182
C 4.437035 -3.658760 0.146111
C 5.973548 2.327322 0.813180
C -4.860204 1.150654 0.577515
C 6.360512 2.475796 2.280761
C -6.200925 0.488507 0.351077
C -7.015485 0.866537 -0.744794
C -6.654020 -0.534470 1.221426
C -8.259196 0.234479 -0.970206
C -7.895627 -1.170458 0.999773
C -8.702417 -0.785833 -0.097019
H 2.672787 0.207977 -2.581076
H 1.937339 1.676850 -1.915402
H 1.810431 2.046273 0.595564
H 2.436010 0.840832 1.733848
H 0.187890 0.069946 -2.622602
H 0.856648 -1.198071 -1.545329
H 0.658299 -0.799581 0.980207
H -0.051148 0.748303 1.530023
H -1.572717 -1.060118 -0.111821
H -1.824654 -0.154048 -1.630443
H 2.794071 -1.214529 1.908934
H 4.195932 -1.169719 -2.207789
H -2.425727 1.907485 -0.361931
H -2.240608 1.022564 1.197706
H 3.683747 -3.511008 2.184623
H 5.085996 -3.472136 -1.926893
H 4.833898 -4.672209 0.272737
H 6.713328 1.745444 0.234153
H 5.830170 3.300441 0.309409
H -4.839292 2.165901 0.123407
H -4.645608 1.255118 1.664745
H 5.595477 3.045674 2.835553
H 6.474118 1.487644 2.758268
H 7.322194 3.014780 2.361552
H -6.670019 1.652912 -1.426967
H -6.026363 -0.837218 2.068314
H -8.880047 0.535692 -1.821497
H -8.234721 -1.961045 1.678650
H -9.667463 -1.276092 -0.268674


