%chk=000056861.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056861

0 1
 O  -0.1787000       1.214300     -0.4251000    
 O    1.771900       2.307100     -0.9729000    
 N   -5.257700      0.6083000      0.3794000    
 C   -6.694100     -0.7825000       1.586100    
 C   -5.307400      -1.416800       1.539800    
 C   -6.679200      0.2867000      0.5035000    
 C   -4.570900     -0.6821000      0.4295000    
 C   -4.959900       1.349300     -0.8372000    
 C    1.851500      0.2692000      0.3751000    
 C   -3.528700       1.653400     -0.9274000    
 C    1.534300      -1.133900     -0.1248000    
 C    3.348500      0.4846000      0.5578000    
 C    1.184600       1.377800     -0.4336000    
 C   -2.356800       1.905000      -1.005300    
 C    1.512200      -2.174500      0.7805000    
 C    4.215400     -3.6300000E-02 -0.3801000    
 C    1.279200      -1.320800      -1.467600    
 C    3.790000       1.193400       1.655700    
 C  -0.9304000       2.213400      -1.099700    
 C    1.221900      -3.459600      0.3226000    
 C    5.586000      0.1607000     -0.2124000    
 C   0.9887000      -2.606000      -1.925500    
 C    5.160700       1.390500       1.823000    
 C   0.9601000      -3.675400      -1.030400    
 C    6.058700      0.8742000      0.8890000    
 H   -7.483400      -1.520400       1.410400    
 H   -6.864800     -0.3359000       2.572700    
 H   -4.802900      -1.274600       2.502900    
 H   -5.359900      -2.492400       1.343800    
 H   -7.086500     -0.1256000     -0.4286000    
 H   -7.276500       1.158100      0.7896000    
 H   -3.505900     -0.5925000      0.6669000    
 H   -4.675400      -1.237900     -0.5115000    
 H   -5.517800       2.293600     -0.8330000    
 H   -5.275000      0.7965000      -1.731300    
 H    1.390800      0.3555000       1.372400    
 H    1.715700      -2.015600       1.835300    
 H    3.886100     -0.5749000      -1.260900    
 H    1.311000     -0.5104000      -2.188800    
 H    3.098700       1.601500       2.386700    
 H  -0.7314000       3.189700     -0.6433000    
 H  -0.6280000       2.247600      -2.152600    
 H    1.200200      -4.292400       1.019400    
 H    6.285400     -0.2364000     -0.9424000    
 H   0.7886000      -2.774900      -2.979600    
 H    5.528700       1.946800       2.680200    
 H   0.7350000      -4.676300      -1.387200    
 H    7.125900       1.029000       1.018500    


%chk=000056861-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056861

0 1
O -0.433206 -0.240427 -1.056706
O 1.341581 0.798126 -2.148834
N -5.637769 1.213884 0.752606
C -7.157362 1.916297 2.461208
C -5.683451 2.001563 2.990788
C -7.062558 1.079778 1.156110
C -4.865981 1.116173 2.018661
C -5.237307 0.263246 -0.306515
C 1.745694 -1.151812 -0.636146
C -3.855044 0.459079 -0.778668
C 2.629454 -2.001370 -1.560577
C 2.533760 -0.441005 0.485789
C 0.918630 -0.098183 -1.382975
C -2.696489 0.583901 -1.181297
C 2.868403 -3.350576 -1.191523
C 3.750165 0.236280 0.224034
C 3.240917 -1.496302 -2.736246
C 2.014295 -0.442506 1.804281
C -1.343498 0.788406 -1.683725
C 3.700372 -4.179565 -1.974705
C 4.436280 0.896546 1.266962
C 4.069767 -2.328491 -3.523246
C 2.701316 0.216570 2.848568
C 4.305417 -3.669974 -3.147183
C 3.916001 0.888817 2.582369
H -7.835590 1.438641 3.189571
H -7.548903 2.925785 2.251194
H -5.322420 3.042950 2.947538
H -5.587410 1.652844 4.033673
H -7.331038 0.010963 1.365542
H -7.729935 1.445885 0.355195
H -3.830110 1.464388 1.869643
H -4.824176 0.059334 2.391679
H -5.930870 0.388840 -1.161547
H -5.339816 -0.804158 0.031501
H 1.013991 -1.819999 -0.150620
H 2.402629 -3.751466 -0.282567
H 4.162574 0.240849 -0.790026
H 3.055759 -0.460868 -3.039877
H 1.068380 -0.957646 2.012439
H -0.952947 1.790777 -1.428210
H -1.283372 0.669339 -2.781332
H 3.872480 -5.219213 -1.673974
H 5.377527 1.415843 1.054133
H 4.531061 -1.926007 -4.432345
H 2.290838 0.204280 3.864555
H 4.948731 -4.311558 -3.759841
H 4.451729 1.399842 3.390245


