%chk=000048371.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048371

0 1
 O    3.428000      0.6077000      7.7299997E-02
 O   -2.720300       2.010400      8.7300003E-02
 N   -2.049800     -0.2494000      0.2045000    
 C  -0.6717000     -3.4200002E-02  0.1721000    
 C   -2.549800      -1.658900      0.2352000    
 C  -0.1517000       1.049500     -0.5356000    
 C   0.1860000     -0.9024000      0.8476000    
 C   -3.014900      0.8130000      0.1193000    
 C    2.083800      0.3966000      0.1075000    
 C   -2.668100      -2.230200      -1.167500    
 C    1.226200       1.264800     -0.5680000    
 C    1.563800     -0.6869000      0.8153000    
 C   -4.477600      0.4428000      2.7899999E-02
 C    4.268200     -0.5417000      0.1714000    
 C    5.548000     -0.2811000     -0.5941000    
 H   -1.925200      -2.309400      0.8485000    
 H   -3.529600      -1.691800      0.7187000    
 H  -0.7709000       1.719400      -1.122900    
 H  -0.1616000      -1.727700       1.458500    
 H   -3.288100      -1.610000      -1.820100    
 H   -1.681600      -2.310600      -1.636700    
 H   -3.105500      -3.232900      -1.132500    
 H    1.627200       2.103300      -1.130900    
 H    2.194300      -1.362400       1.386200    
 H   -4.817300      1.7000001E-02  0.9755000    
 H   -4.670400     -0.2437000     -0.7964000    
 H   -5.064200       1.348900     -0.1573000    
 H    4.497500     -0.7336000       1.225300    
 H    3.798700      -1.430000     -0.2697000    
 H    6.222300      -1.139900     -0.5339000    
 H    5.332200     -7.4299999E-02  -1.647600    
 H    6.062500      0.6000000     -0.1963000    


%chk=000048371-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048371

0 1
O 3.445637 0.295253 -0.561017
O -2.509413 1.986103 0.423625
N -2.158084 -0.318418 0.213425
C -0.725563 -0.158271 0.047424
C -2.707417 -1.692852 0.059385
C -0.198315 0.748039 -0.909934
C 0.168628 -0.922105 0.830470
C -2.980809 0.809847 0.370313
C 2.080945 0.093882 -0.302333
C -2.878565 -2.100544 -1.420664
C 1.189722 0.875597 -1.080492
C 1.566857 -0.811154 0.659025
C -4.486826 0.564730 0.504134
C 4.418253 -0.471578 0.240573
C 5.808060 -0.051282 -0.230608
H -2.019995 -2.399151 0.556854
H -3.669581 -1.760409 0.591923
H -0.879731 1.364717 -1.500811
H -0.220753 -1.598077 1.600160
H -3.593509 -1.435202 -1.937323
H -1.912555 -2.042965 -1.952166
H -3.254305 -3.137697 -1.495552
H 1.607678 1.575259 -1.810506
H 2.230648 -1.416721 1.282650
H -4.730270 0.045534 1.449905
H -4.899294 -0.030767 -0.329807
H -4.974831 1.550386 0.514655
H 4.271685 -0.243187 1.316635
H 4.251895 -1.557883 0.084085
H 6.583454 -0.599802 0.334661
H 5.936656 -0.269318 -1.304476
H 5.960096 1.030337 -0.075614


