%chk=000049639.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049639

0 1
 O  -0.2895000      -2.251600      0.7856000    
 O   -1.415900      -1.896400      -1.199900    
 N    5.425000       1.216500     -0.4189000    
 C    3.841900      -1.196200      9.8200001E-02
 C    4.638800     -0.4844000       1.196700    
 C    3.485300     -0.2003000      -1.010700    
 C    2.588500      -1.854200      0.6686000    
 C    5.842200      0.2616000      0.6166000    
 C    4.727100      0.5357000      -1.517700    
 C    1.767400      -2.534000     -0.4233000    
 C    6.579400       1.957600     -0.9266000    
 C   0.5389000      -3.228400      0.1471000    
 C   -2.012500     -0.6748000      0.7826000    
 C   -3.413800     -0.4726000      0.2327000    
 C   -1.438700      0.7280000      0.6890000    
 C   -3.608800      0.8788000     -0.1331000    
 C   -2.395500       1.616400      0.1474000    
 C   -1.226200      -1.665700     -1.3300000E-02
 C   -4.413600      -1.416200      6.2899999E-02
 C  -0.1719000       1.162300       1.042900    
 C   -4.816900       1.297100     -0.6664000    
 C   -2.090000       2.955000     -3.5399999E-02
 C   -5.630900     -0.9940000     -0.4746000    
 C   0.1352000       2.511500      0.8587000    
 C   -5.830800      0.3493000     -0.8350000    
 C  -0.8145000       3.399200      0.3258000    
 H    4.480100      -1.979000     -0.3346000    
 H    4.986300      -1.213300       1.938500    
 H    3.993100      0.2272000       1.728400    
 H    2.749400      0.5280000     -0.6461000    
 H    3.042700     -0.7084000      -1.873300    
 H    2.883600      -2.599500       1.418200    
 H    1.984800      -1.110200       1.194200    
 H    6.338600      0.7962000       1.435800    
 H    6.564500     -0.4612000      0.2145000    
 H    5.394700     -0.1732000      -2.025400    
 H    4.405900       1.271800      -2.264800    
 H    1.418200      -1.798100      -1.153700    
 H    2.383500      -3.269000     -0.9537000    
 H    7.319300       1.300300      -1.397500    
 H    7.071600       2.506000     -0.1156000    
 H    6.263300       2.704800      -1.663100    
 H  -6.3000000E-03  -3.776100     -0.6302000    
 H   0.8299000      -3.960100      0.9085000    
 H   -2.095600     -0.9833000       1.831400    
 H   -4.262600      -2.453800      0.3399000    
 H   0.5571000      0.4898000       1.473600    
 H   -4.985600       2.330000     -0.9520000    
 H   -2.811500       3.652000     -0.4483000    
 H   -6.434500      -1.711700     -0.6172000    
 H    1.119200       2.881800       1.133900    
 H   -6.787100      0.6542000      -1.252000    
 H  -0.5522000       4.445400      0.1921000    


%chk=000049639-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049639

0 1
O -0.370483 -2.211703 0.808936
O -1.567463 -2.093146 -1.196537
N 5.771051 1.163546 -0.206870
C 3.954582 -1.167795 0.022419
C 4.952937 -0.766698 1.137262
C 3.597852 0.092374 -0.805969
C 2.712949 -1.872461 0.622023
C 6.181278 -0.032693 0.565993
C 4.865399 0.801258 -1.322975
C 1.780048 -2.522326 -0.423707
C 6.929124 1.954045 -0.665792
C 0.556507 -3.214618 0.190920
C -2.176605 -0.641054 0.736376
C -3.621641 -0.480090 0.271048
C -1.592665 0.762136 0.500414
C -3.855105 0.859336 -0.159235
C -2.600403 1.624488 -0.024487
C -1.384044 -1.710359 -0.022862
C -4.650405 -1.434696 0.242512
C -0.289476 1.227439 0.736060
C -5.132616 1.250085 -0.616025
C -2.297492 2.973238 -0.312931
C -5.932741 -1.042639 -0.216879
C 0.012707 2.581555 0.442866
C -6.169936 0.288920 -0.640535
C -0.984287 3.444263 -0.076727
H 4.470603 -1.886316 -0.654680
H 5.287487 -1.665912 1.692046
H 4.443137 -0.098461 1.859612
H 3.030174 0.798193 -0.166675
H 2.954267 -0.166838 -1.668319
H 3.056675 -2.659459 1.326768
H 2.138478 -1.144464 1.230297
H 6.845691 0.294882 1.388098
H 6.771017 -0.745481 -0.073440
H 5.383646 0.131662 -2.063097
H 4.587827 1.727647 -1.860569
H 1.428886 -1.780026 -1.164675
H 2.346007 -3.289912 -0.992071
H 7.593410 1.396873 -1.376022
H 7.540068 2.259782 0.202715
H 6.578026 2.869230 -1.176011
H -0.008103 -3.781859 -0.569662
H 0.834524 -3.868798 1.034718
H -2.120239 -0.898696 1.811347
H -4.470156 -2.467858 0.559723
H 0.478932 0.558823 1.138826
H -5.322470 2.276734 -0.948555
H -3.062020 3.647632 -0.714590
H -6.747330 -1.774663 -0.248023
H 1.024183 2.964155 0.619678
H -7.167607 0.573726 -0.993184
H -0.733587 4.487799 -0.298153


