%chk=000178982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178982

0 1
 O   -1.422800       2.202200     -0.9940000    
 O   -2.724100     -0.7613000      -1.658300    
 O   -2.216300      -2.268500     -4.3900002E-02
 N   -3.136900     -0.4682000       1.829600    
 N    2.322500      8.6599998E-02 -0.4104000    
 N    3.733400      -1.704000     -0.8326000    
 N    4.083400     -0.5428000       1.097200    
 C  -0.5069000       1.296000     -0.3724000    
 C   -1.191000      0.6731000      0.8538000    
 C   0.8277000       2.019400     -0.1238000    
 C   -2.569900      5.9300002E-02  0.5841000    
 C    1.949800       1.180000      0.4872000    
 C   -2.470000      -1.116000     -0.3724000    
 C    3.321000     -0.6557000     -4.4100001E-02
 H  -0.3235000      0.4995000      -1.103200    
 H  -0.5253000     -8.7700002E-02   1.281000    
 H   -1.309100       1.457000       1.614200    
 H   0.6391000       2.883500      0.5266000    
 H    1.176400       2.444500      -1.074600    
 H   -3.268900      0.8004000      0.1832000    
 H    1.632300      0.7901000       1.460900    
 H    2.809500       1.841700      0.6510000    
 H   -1.004600       2.531100      -1.807900    
 H   -2.525300      -1.185200       2.218000    
 H   -4.032300     -0.9170000       1.641100    
 H   -2.668300      -1.528400      -2.267000    
 H    3.267800      -1.915000      -1.708500    
 H    4.511100      -2.296400     -0.5632000    
 H    4.846500      -1.185200       1.281100    
 H    3.913500      0.1745000       1.793000    


%chk=000178982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178982

0 1
O -1.405070 2.550679 -0.940550
O -0.495374 -1.439724 -1.212714
O -0.432937 -2.198818 0.979893
N -2.853266 -0.672495 1.506535
N 2.339745 0.507147 -0.536636
N 2.171955 -1.712144 -1.297410
N 2.335724 -1.379826 1.035729
C -0.382768 1.638330 -0.364012
C -1.102174 0.952009 0.812454
C 0.887441 2.436302 0.018649
C -1.930336 -0.316668 0.417322
C 2.073529 1.543727 0.480959
C -0.915146 -1.430085 0.096187
C 2.316943 -0.760999 -0.220214
H -0.095115 0.889897 -1.126956
H -0.387447 0.675834 1.612906
H -1.823750 1.670728 1.239729
H 0.648497 3.172753 0.811039
H 1.215341 3.004744 -0.874867
H -2.509154 -0.075002 -0.490006
H 1.837641 1.130419 1.490969
H 2.969158 2.183984 0.596862
H -1.067718 2.898303 -1.805143
H -2.354712 -1.034139 2.329684
H -3.589663 -1.324920 1.214317
H 0.467076 -1.837041 -1.310387
H 2.336237 -1.255493 -2.203678
H 2.699300 -2.584387 -1.173285
H 1.660407 -2.139001 1.195512
H 2.524436 -0.786614 1.842813


