%chk=000055970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055970

0 1
 O   -5.166200     -0.4717000       1.256400    
 O   -3.396900      0.7650000       1.968200    
 N   -1.682100       1.216300     -0.1724000    
 N    3.039500       1.139700      4.9699999E-02
 N   0.6956000       1.155800     -5.7999998E-02
 N    1.958600       3.196200     -0.2787000    
 C   -2.080400     -8.9000002E-02 -0.5378000    
 C   -3.138500     -0.7236000      0.1131000    
 C  -0.4405000       1.876900     -0.2069000    
 C   -1.400200     -0.7436000      -1.564800    
 C   -3.516400      -2.012500     -0.2633000    
 C    3.306300     -0.2280000      0.2469000    
 C    1.838700       1.866500     -0.1033000    
 C   -1.778300      -2.032500      -1.941100    
 C   -2.836300      -2.666900      -1.290400    
 C  -0.4450000       3.248700     -0.3932000    
 C    4.492000     -0.7872000     -0.2345000    
 C    2.386000      -1.030600      0.9243000    
 C   0.7921000       3.859300     -0.4210000    
 C   -3.869400     -6.7100003E-02   1.189700    
 C    4.756100      -2.142900     -3.9600000E-02
 C    2.650100      -2.386300       1.119200    
 C    3.835200      -2.942400      0.6373000    
 H   -2.398900       1.748600      0.3122000    
 H  -0.5806000     -0.2675000      -2.096200    
 H   -4.327300      -2.539800      0.2323000    
 H    3.862500       1.707500     -0.1287000    
 H   -1.250000      -2.541500      -2.742000    
 H   -3.128600      -3.671400      -1.582000    
 H   -1.356900       3.820700     -0.5126000    
 H    5.217800     -0.1755000     -0.7645000    
 H    1.472300     -0.6330000       1.353600    
 H   0.8825000       4.930900     -0.5629000    
 H    5.678800      -2.575900     -0.4145000    
 H    1.937800      -3.007400       1.654500    
 H    4.041700      -3.997500      0.7910000    
 H   -5.651100     -2.5300000E-02   1.983000    


%chk=000055970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055970

0 1
O -5.758765 -0.074410 0.619252
O -4.277300 1.694863 0.581121
N -1.726999 1.165839 0.024171
N 3.064932 1.124150 -0.156347
N 0.672483 1.069794 -0.069079
N 1.970391 3.152296 -0.070405
C -2.088421 -0.176408 -0.165922
C -3.471970 -0.552797 0.033845
C -0.484316 1.797412 -0.002523
C -1.165194 -1.182235 -0.574534
C -3.869171 -1.906027 -0.161983
C 3.408075 -0.249046 -0.092871
C 1.842899 1.778109 -0.090895
C -1.592305 -2.506839 -0.766190
C -2.943985 -2.884115 -0.554839
C -0.463237 3.224999 0.056026
C 4.734026 -0.602792 -0.472513
C 2.524003 -1.262759 0.365203
C 0.798112 3.844214 0.008089
C -4.478464 0.446854 0.421789
C 5.165100 -1.942089 -0.399356
C 2.969460 -2.600487 0.429734
C 4.284212 -2.954737 0.048807
H -2.541916 1.776473 0.231566
H -0.127162 -0.895359 -0.740078
H -4.919976 -2.161542 -0.002014
H 3.837492 1.789184 -0.252011
H -0.859501 -3.255250 -1.088998
H -3.263424 -3.920074 -0.703677
H -1.384611 3.809177 0.118815
H 5.422235 0.174465 -0.828626
H 1.514085 -0.992741 0.675558
H 0.888087 4.935442 0.028230
H 6.189263 -2.194563 -0.696113
H 2.279703 -3.371137 0.793353
H 4.618677 -3.995992 0.104041
H -6.366518 0.671128 0.872374


