%chk=000060509.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060509

0 1
 O    1.259800       1.953800      -1.539100    
 O   -1.273300      -1.760900     -0.6442000    
 O    2.170600       4.373000     -0.2174000    
 N   -3.524700     -0.2173000     -4.6599999E-02
 N    2.980400     -0.5514000      -1.259400    
 C  -0.6415000      0.5896000     -0.8612000    
 C  -0.9928000     -0.5641000      9.3900003E-02
 C   -2.311900      5.5700000E-02  0.7376000    
 C   0.7340000      0.5865000      -1.571300    
 C   -1.871900      0.7882000      -1.853400    
 C  -0.3669000       1.777500      6.5600000E-02
 C   0.1615000     -0.9827000       1.053600    
 C   -1.972500       1.019100       1.913200    
 C   -3.193300     -6.6900000E-02  -1.507600    
 C    1.701900     -0.3021000     -0.8474000    
 C  -0.9316000       2.019400       1.344400    
 C    1.471500      -1.014800      0.3157000    
 C   -4.177600      -1.468100      0.2882000    
 C   0.6873000       2.516500     -0.4239000    
 C   -5.507900      -1.603400     -0.4333000    
 C   -6.316900      -2.820800     -0.1813000    
 C   -6.750700      -1.493900      0.3693000    
 C    2.672100      -1.714500      0.6282000    
 C  -0.4725000       3.131200       2.045100    
 C    1.140900       3.627000      0.2557000    
 C    3.598400      -1.407000     -0.3737000    
 C   0.5426000       3.938200       1.489200    
 C    3.600600     -4.1999999E-03  -2.448200    
 C    3.064200      -2.582100       1.667800    
 C    4.897700      -1.927400     -0.3848000    
 C    4.360600      -3.108800       1.668500    
 C    5.261800      -2.785200      0.6567000    
 H   -2.464500     -0.7679000       1.457800    
 H   0.6442000      0.2700000      -2.616000    
 H   -1.579800      0.5161000      -2.874400    
 H   -2.153800       1.848600      -1.869800    
 H  -4.4700000E-02  -1.978600       1.465600    
 H   0.2897000     -0.3086000       1.904000    
 H   -1.561900      0.5134000       2.794100    
 H   -2.871600       1.571200       2.207400    
 H   -4.036700      0.4275000      -2.004200    
 H   -3.085700      -1.047300      -1.988700    
 H   -3.561400      -2.336100      2.7400000E-02
 H   -4.366700      -1.525500       1.368500    
 H   -5.513600      -1.250500      -1.455700    
 H  -0.5287000      -1.936300      -1.243500    
 H   -5.947700      -3.559800      0.5192000    
 H   -6.886000      -3.233400      -1.005500    
 H   -7.606800      -1.013600     -8.9299999E-02
 H   -6.684500      -1.348600       1.440400    
 H  -0.8769000       3.374700       3.023200    
 H   0.8881000       4.799500       2.057600    
 H    4.267200     -0.7515000      -2.885400    
 H    2.840800      0.2513000      -3.188700    
 H    4.162200      0.8865000      -2.156000    
 H    2.373000      -2.843800       2.464000    
 H    5.609400      -1.679200      -1.164900    
 H    2.347800       5.096700      0.4080000    
 H    4.666500      -3.777700       2.468500    
 H    6.264300      -3.204800      0.6772000    


%chk=000060509-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060509

0 1
O 1.031490 1.874257 -1.455228
O -0.841347 -2.389908 -0.725393
O 1.265221 4.504860 -0.168817
N -3.246585 -0.732964 -0.110672
N 3.240100 -0.397233 -1.276447
C -0.583899 0.115496 -0.830661
C -0.737018 -1.146020 0.073385
C -2.098323 -0.978044 0.818797
C 0.797564 0.343359 -1.529568
C -1.755688 0.194076 -1.876474
C -0.610098 1.311986 0.117686
C 0.460518 -1.317172 1.052064
C -2.056784 0.192885 1.852859
C -2.947454 -0.733322 -1.557830
C 1.900738 -0.387091 -0.841390
C -1.338537 1.424994 1.311888
C 1.764635 -1.182960 0.302517
C -4.440547 -1.529766 0.262283
C 0.279409 2.296228 -0.337342
C -5.724912 -1.085435 -0.427945
C -7.041622 -1.080539 0.367149
C -6.375714 0.245877 -0.035712
C 3.072037 -1.725273 0.596176
C -1.238519 2.664293 1.995415
C 0.380903 3.531757 0.330672
C 3.974305 -1.215440 -0.409500
C -0.413969 3.702926 1.497252
C 3.785132 0.346979 -2.416209
C 3.577558 -2.584917 1.607025
C 5.347533 -1.549237 -0.422786
C 4.945394 -2.918163 1.596732
C 5.820135 -2.405533 0.592049
H -2.258144 -1.931545 1.370061
H 0.770217 0.154379 -2.615788
H -1.375540 -0.077916 -2.878986
H -2.100105 1.242573 -1.927699
H 0.369948 -2.311517 1.529372
H 0.420560 -0.563859 1.859184
H -1.554843 -0.135564 2.787603
H -3.102448 0.429796 2.124284
H -3.838538 -0.345836 -2.084932
H -2.738050 -1.757918 -1.939746
H -4.278017 -2.619656 0.056865
H -4.578474 -1.429804 1.357573
H -5.813163 -1.376158 -1.481060
H 0.079237 -2.626880 -1.015216
H -7.003087 -1.374154 1.421538
H -7.960731 -1.377544 -0.146392
H -6.849699 0.848074 -0.816320
H -5.875175 0.831459 0.741458
H -1.787438 2.821086 2.931043
H -0.354683 4.653622 2.044624
H 3.909796 -0.299227 -3.306081
H 3.114119 1.185006 -2.658830
H 4.768203 0.771544 -2.148185
H 2.915334 -2.982396 2.384587
H 6.026535 -1.166013 -1.191939
H 1.254912 5.305922 0.411853
H 5.350149 -3.581012 2.369528
H 6.879570 -2.685015 0.610323


