%chk=000056492.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056492

0 1
 O   -2.839700      0.9522000      4.8999999E-02
 O    1.228700      -1.880600     -1.3800000E-02
 O    3.900400      -1.347300     -8.6499996E-02
 O   -4.175200      -2.276900      0.1215000    
 O   -5.133200     -0.3017000      0.1219000    
 N   -4.085800      -1.013600      0.1045000    
 C   0.7148000      0.4925000     -3.2299999E-02
 C  -0.6867000      0.2585000      5.1000002E-03
 C    1.184500       1.832500     -6.1500002E-02
 C   -1.539600       1.358000      1.1400000E-02
 C    1.631600     -0.5775000     -4.1000001E-02
 C   0.2685000       2.897700     -5.3300001E-02
 C   -1.540600     -0.8809000      4.1000001E-02
 C   -1.112800       2.683000     -1.6600000E-02
 C    2.569100       2.058800     -9.8300003E-02
 C    3.001700     -0.3226000     -7.7799998E-02
 C   -2.830100     -0.4047000      6.6799998E-02
 C    3.468500      0.9900000     -0.1063000    
 C    1.617400      -2.700200      -1.113300    
 C    4.358400      -1.817300       1.179400    
 H   0.6276000       3.925700     -7.5700000E-02
 H   -1.263500      -1.925200      4.8700001E-02
 H   -1.813900       3.509500     -1.0300000E-02
 H    2.962900       3.072900     -0.1214000    
 H    4.536200       1.191600     -0.1359000    
 H    1.841400      -2.117400      -2.013700    
 H   0.7831000      -3.369700      -1.343700    
 H    2.475200      -3.318600     -0.8351000    
 H    3.521100      -2.180700       1.783500    
 H    4.889800      -1.023000       1.713300    
 H    5.050300      -2.646300       1.006900    


%chk=000056492-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056492

0 1
O -2.872149 1.004829 0.037805
O 1.277071 -1.853250 0.009006
O 4.119723 -1.203098 0.021253
O -3.944398 -2.416485 0.257055
O -5.150134 -0.457296 0.191189
N -4.040316 -1.120840 0.191814
C 0.768968 0.529745 -0.034450
C -0.654965 0.302736 0.012657
C 1.215553 1.908553 -0.101657
C -1.530234 1.423098 -0.021450
C 1.740310 -0.519462 -0.029722
C 0.259489 2.990093 -0.128191
C -1.494590 -0.865097 0.105878
C -1.119195 2.772523 -0.091421
C 2.619212 2.181323 -0.158072
C 3.120790 -0.210055 -0.018820
C -2.802238 -0.399976 0.114964
C 3.551934 1.143799 -0.110918
C 1.666504 -2.683914 -1.161158
C 4.098424 -2.084944 1.215647
H 0.643788 4.014787 -0.180215
H -1.179245 -1.900385 0.172945
H -1.846393 3.587179 -0.111444
H 2.957325 3.221033 -0.224906
H 4.629205 1.333721 -0.129953
H 1.208950 -2.275592 -2.080920
H 1.264536 -3.686331 -0.951411
H 2.764539 -2.719106 -1.270212
H 3.121380 -2.587367 1.324310
H 4.318094 -1.490815 2.121888
H 4.898162 -2.820703 1.045008


