%chk=000052172.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052172

0 1
 O  -0.8132000      8.1400000E-02   2.111900    
 O   -3.928200     -0.4655000      -1.268900    
 O  -0.2206000      -3.146600      -1.176000    
 N  -0.3560000      -1.432000      0.4031000    
 N   -2.027300      -1.749100      -1.239000    
 C   -2.057200      0.3180000      5.6699999E-02
 C   -1.286100       1.299700     -0.8443000    
 C  -0.5514000       2.341100     -6.8999999E-03
 C   -3.081600       1.102800      0.8913000    
 C   -1.039000     -0.3491000      0.9796000    
 C   0.2916000       3.309100     -0.8576000    
 C   -2.786800     -0.6574000     -0.8524000    
 C   -3.889500      0.1737000       1.769100    
 C  -0.8081000      -2.166900     -0.7100000    
 C   0.8246000      -1.933800       1.096300    
 C    1.300300       2.519600      -1.695700    
 C    1.027600       4.345500     -6.8999999E-03
 C    2.080000      -1.237700      0.6421000    
 C    2.801000      -1.755900     -0.4246000    
 C    2.498800     -8.7800004E-02   1.296600    
 C    3.964300      -1.111300     -0.8453000    
 C    3.662100      0.5570000      0.8759000    
 C    4.394800      4.5100000E-02 -0.1950000    
 H  -0.5803000      0.7329000      -1.461100    
 H   -1.970500       1.800600      -1.541400    
 H   -1.258000       2.961100      0.5530000    
 H   0.1196000       1.877100      0.7214000    
 H   -3.763200       1.669900      0.2448000    
 H   -2.609200       1.825100       1.564400    
 H  -0.3746000       3.850300      -1.541500    
 H   -4.488300     -0.5399000       1.196600    
 H   -3.273800     -0.3922000       2.473500    
 H   -4.593800      0.7622000       2.368100    
 H   -2.432000      -2.348000      -1.953500    
 H   0.9252000      -3.015500      0.9429000    
 H   0.7043000      -1.803300       2.179200    
 H   0.8123000       1.968700      -2.505200    
 H    1.866200       1.812100      -1.085600    
 H    2.018000       3.195700      -2.173900    
 H    1.733700       3.865300      0.6791000    
 H    1.587300       5.044000     -0.6377000    
 H   0.3184000       4.928100      0.5902000    
 H    2.479800      -2.657600     -0.9374000    
 H    1.940500      0.3200000       2.133900    
 H    4.535200      -1.509900      -1.678700    
 H    3.996600       1.458100       1.381600    
 H    5.300000      0.5476000     -0.5229000    


%chk=000052172-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052172

0 1
O -0.715368 0.013920 2.136464
O -3.892104 -0.353795 -1.423563
O -0.281661 -3.250765 -1.171175
N -0.404622 -1.546598 0.444128
N -2.064973 -1.761393 -1.253830
C -2.087263 0.310050 0.123969
C -1.272866 1.324199 -0.800789
C -0.361602 2.322943 -0.057512
C -3.130222 1.058074 0.995960
C -1.057169 -0.415648 1.003322
C 0.315615 3.349020 -1.009137
C -2.789376 -0.615037 -0.878897
C -4.012627 0.133116 1.860871
C -0.864982 -2.241030 -0.694835
C 0.815247 -2.078037 1.138850
C 1.254445 2.670408 -2.037898
C 1.095784 4.394827 -0.177382
C 2.074684 -1.311734 0.751097
C 2.769138 -1.633123 -0.444039
C 2.563756 -0.268884 1.577971
C 3.930167 -0.915974 -0.809375
C 3.726513 0.447190 1.213181
C 4.411498 0.126436 0.018023
H -0.666712 0.736073 -1.516558
H -2.032027 1.874450 -1.391345
H -0.951607 2.879189 0.695977
H 0.429454 1.781749 0.497393
H -3.768572 1.646465 0.312008
H -2.586854 1.760208 1.650818
H -0.485175 3.880821 -1.567919
H -4.599529 -0.564287 1.236705
H -3.404976 -0.448743 2.576977
H -4.729501 0.734175 2.448441
H -2.447049 -2.329530 -2.017076
H 0.892452 -3.139123 0.854140
H 0.619366 -1.993087 2.219575
H 0.705789 2.016161 -2.739581
H 2.017867 2.054736 -1.523249
H 1.783426 3.430639 -2.642385
H 1.915615 3.908888 0.386330
H 1.545358 5.166507 -0.829465
H 0.438069 4.904094 0.551701
H 2.394700 -2.443563 -1.080916
H 2.024664 -0.016930 2.498291
H 4.462411 -1.172720 -1.732173
H 4.099473 1.248788 1.860618
H 5.314846 0.679175 -0.263917


