%chk=000064088.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064088

0 1
 O    4.450000     -0.1578000      0.7332000    
 O   -1.478000      -1.778900     -0.8201000    
 N   -5.347200      0.4402000     -0.3285000    
 N   -1.878900     -0.2326000      0.8780000    
 N  -7.5599998E-02  0.8469000       1.990000    
 C   -3.904800      0.6176000     -0.2208000    
 C   -3.323200     -0.3738000      0.7763000    
 C   -5.668300     -0.9146000     -0.7817000    
 C   -5.922400       1.429900      -1.241700    
 C   -1.069700     -0.9884000      2.5200000E-02
 C   0.3854000     -0.7769000      0.2037000    
 C   0.8206000      0.1314000       1.178200    
 C   -1.337400      0.6374000       1.806800    
 C   -7.170800      -1.134100     -0.8342000    
 C   -5.601600       2.844800     -0.7908000    
 C    1.304200      -1.473600     -0.5882000    
 C    2.195200      0.3312000       1.347300    
 C    3.115500     -0.3619000      0.5590000    
 C    6.498700      0.5904000     -0.2660000    
 C    5.286100     -0.3180000     -0.4117000    
 C    2.670200      -1.262600     -0.4069000    
 C    7.432200      0.4815000      -1.468300    
 C    8.619600       1.421900      -1.338800    
 H   -3.414800      0.5072000      -1.197500    
 H   -3.647400       1.614000      0.1541000    
 H   -3.763000     -0.2093000       1.768100    
 H   -3.500100      -1.416100      0.5047000    
 H   -5.222700      -1.139300      -1.758800    
 H   -5.318000      -1.669900     -7.4800000E-02
 H   -5.577100       1.285300      -2.273200    
 H   -7.015000       1.361500      -1.245100    
 H   -2.082500       1.174700       2.414100    
 H   -7.382200      -2.203700     -0.9473000    
 H   -7.637200     -0.6345000      -1.688800    
 H   -7.663000     -0.8008000      8.6000003E-02
 H   -6.237100       3.553700      -1.333700    
 H   -4.567300       3.129900      -1.007500    
 H   -5.797200       2.987100      0.2776000    
 H   0.9762000      -2.184100      -1.341800    
 H    2.553000       1.032400       2.098300    
 H    7.035500      0.3371000      0.6567000    
 H    6.161000       1.627000     -0.1408000    
 H    5.605000      -1.364600     -0.4778000    
 H    4.762900     -3.5599999E-02  -1.334700    
 H    3.354000      -1.841700      -1.020400    
 H    7.795700     -0.5482000      -1.565100    
 H    6.886100      0.7207000      -2.388200    
 H    9.275700       1.326200      -2.209700    
 H    9.206700       1.191400     -0.4441000    
 H    8.290000       2.463800      -1.274800    


%chk=000064088-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064088

0 1
O 4.443278 0.692297 0.113152
O -1.631296 -1.591499 -0.674990
N -5.487509 0.278028 -0.498041
N -1.901478 0.248007 0.759405
N -0.056459 1.622407 1.509481
C -4.066833 0.690694 -0.446719
C -3.369039 0.026868 0.767284
C -5.676292 -1.013928 -1.218594
C -6.410376 1.349829 -0.956652
C -1.094920 -0.635633 -0.032495
C 0.339262 -0.316204 -0.003588
C 0.819202 0.804911 0.759909
C -1.338006 1.308382 1.469883
C -6.906491 -1.800066 -0.728234
C -6.634884 2.443552 0.104766
C 1.262857 -1.106886 -0.731990
C 2.200321 1.105870 0.771486
C 3.102504 0.308361 0.038046
C 6.805925 0.557564 -0.382688
C 5.445920 -0.094389 -0.637455
C 2.633022 -0.809205 -0.719517
C 7.949949 -0.179965 -1.117440
C 9.324253 0.478478 -0.870173
H -3.512786 0.416799 -1.373896
H -4.003913 1.789212 -0.342204
H -3.788850 0.425450 1.706583
H -3.539665 -1.061486 0.738348
H -5.746353 -0.848803 -2.322851
H -4.770175 -1.626756 -1.057779
H -6.056947 1.814740 -1.911861
H -7.383287 0.876307 -1.181829
H -2.047286 1.915966 2.043813
H -6.993838 -2.757695 -1.274718
H -7.845812 -1.238916 -0.884524
H -6.815841 -2.015272 0.350749
H -7.346040 3.204236 -0.267978
H -5.695849 2.966210 0.364356
H -7.043764 1.997717 1.028197
H 0.875756 -1.955849 -1.304984
H 2.561627 1.958301 1.351562
H 7.001463 0.567398 0.706596
H 6.765311 1.613448 -0.711806
H 5.434544 -1.145388 -0.280980
H 5.193740 -0.079927 -1.718219
H 3.326972 -1.433604 -1.288427
H 7.982359 -1.238062 -0.786400
H 7.740539 -0.198124 -2.206558
H 10.129720 -0.059347 -1.402295
H 9.573693 0.482353 0.207289
H 9.328771 1.527816 -1.219520


