%chk=000049514.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049514

0 1
 O   0.4657000     -4.8900001E-02  0.1681000    
 O    1.905400       1.654400     -0.3377000    
 N   -3.076300      0.9422000      0.1009000    
 N    2.665200     -0.4986000      0.1795000    
 C   -4.313400      0.2190000      0.3891000    
 C   -4.426500      -1.005300     -0.5258000    
 C   -5.515800       1.153100      0.2137000    
 C   -5.745200      -1.744600     -0.3057000    
 C   -6.833400      0.4114000      0.4322000    
 C   -6.944900     -0.8155000     -0.4684000    
 C   -1.921800      6.9899999E-02  0.2516000    
 C  -0.6337000      0.8353000     -6.3000000E-03
 C    1.717000      0.4843000     -2.8300000E-02
 C    4.071000     -0.3860000      8.3899997E-02
 C    4.860000      -1.497700      0.3326000    
 C    4.632700      0.8339000     -0.2577000    
 C    6.247300      -1.386800      0.2372000    
 C    6.019900      0.9450000     -0.3532000    
 C    6.827100     -0.1653000     -0.1057000    
 H   -4.297000     -0.1184000       1.434700    
 H   -4.349700     -0.7077000      -1.579800    
 H   -3.641300      -1.742700     -0.3323000    
 H   -5.452100       1.990100      0.9199000    
 H   -5.512800       1.587300     -0.7949000    
 H   -5.756400      -2.181100      0.7007000    
 H   -5.825400      -2.576100      -1.015200    
 H   -6.907800      0.1017000       1.481900    
 H   -7.673400       1.088000      0.2386000    
 H   -7.867200      -1.360100     -0.2372000    
 H   -7.017200     -0.4939000      -1.514700    
 H   -2.992500       1.741600      0.7282000    
 H   -1.884600     -0.3752000       1.253700    
 H   -1.918000     -0.7528000     -0.4699000    
 H  -0.6250000       1.230400      -1.029600    
 H  -0.5408000       1.669400      0.7001000    
 H    2.310600      -1.417700      0.4329000    
 H    4.418600      -2.453700      0.6001000    
 H    4.074700       1.735600     -0.4636000    
 H    6.875900      -2.251300      0.4298000    
 H    6.472800       1.895500     -0.6202000    
 H    7.907200     -7.8800000E-02 -0.1801000    


%chk=000049514-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049514

0 1
O 0.560759 -0.214107 -0.058141
O 1.940105 1.637888 -0.543379
N -3.056107 0.690443 -0.008302
N 2.793876 -0.484223 0.094646
C -4.348253 0.036911 0.327778
C -4.712991 -1.057166 -0.706739
C -5.460129 1.110915 0.373940
C -6.088524 -1.694081 -0.393776
C -6.842956 0.491861 0.685346
C -7.201502 -0.621249 -0.328293
C -1.834752 -0.090025 0.277168
C -0.638414 0.600349 -0.385790
C 1.802855 0.436577 -0.204331
C 4.201829 -0.283730 0.092279
C 5.018495 -1.392563 0.443175
C 4.803713 0.958180 -0.242816
C 6.421763 -1.262760 0.459531
C 6.210718 1.069905 -0.221081
C 7.028975 -0.029142 0.127190
H -4.305083 -0.449776 1.338328
H -4.729090 -0.583609 -1.708465
H -3.932202 -1.841921 -0.732140
H -5.207933 1.879229 1.134541
H -5.489410 1.622526 -0.609712
H -6.036776 -2.226700 0.578911
H -6.333138 -2.454566 -1.160149
H -6.832082 0.063193 1.708801
H -7.618235 1.282084 0.678044
H -8.168761 -1.086995 -0.056893
H -7.330928 -0.170434 -1.333863
H -3.003260 1.629824 0.411935
H -1.626229 -0.222019 1.366542
H -1.947264 -1.100446 -0.153815
H -0.762711 0.638479 -1.481926
H -0.485462 1.629810 -0.011600
H 2.452116 -1.414314 0.346149
H 4.554550 -2.353140 0.702025
H 4.173114 1.807753 -0.512656
H 7.039471 -2.125746 0.731850
H 6.669515 2.030606 -0.480892
H 8.119240 0.072081 0.139681


