%chk=000031917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031917

0 1
 O    7.058200     -0.4805000      0.1114000    
 N   0.7196000      0.4108000     -0.4170000    
 N   -1.955600      0.5651000      0.6304000    
 N    4.449300      0.4872000     -0.4872000    
 C   0.5213000      0.4617000       1.039600    
 C  -0.3386000     -0.4083000      -1.027900    
 C   0.5655000     -0.9372000       1.689900    
 C  -0.3436000      -1.857100     -0.4961000    
 C  -0.8131000       1.201300       1.298600    
 C   -1.682200      0.3218000     -0.7918000    
 C  -0.3604000      -1.958100       1.029100    
 C    2.066800      1.8200001E-02 -0.8122000    
 C   -3.177900       1.342400      0.8118000    
 C    3.098100      0.8923000     -0.1049000    
 C   -4.380000      0.6387000      0.2403000    
 C    4.686700     -0.9229000     -0.1482000    
 C    5.453600       1.338000      0.1659000    
 C    6.106200      -1.319100     -0.5444000    
 C    6.854600      0.8888000     -0.2389000    
 C   -4.738500      0.8624000      -1.081800    
 C   -5.113200     -0.2234000       1.043600    
 C   -5.852500      0.2108000      -1.611200    
 C   -6.227200     -0.8751000      0.5143000    
 C   -6.596800     -0.6579000     -0.8131000    
 H    1.250300       1.100000       1.544000    
 H  -0.1862000     -0.4443000      -2.114700    
 H    1.592900      -1.320300       1.648900    
 H   0.3162000     -0.8627000       2.755400    
 H   -1.207700      -2.398800     -0.9004000    
 H   0.5380000      -2.389200     -0.8738000    
 H  -0.7113000       2.242600      0.9609000    
 H  -0.9961000       1.232700       2.380100    
 H   -2.449800     -0.3183000      -1.238000    
 H   -1.667600       1.269700      -1.347900    
 H  -7.1599998E-02  -2.970700       1.335000    
 H   -1.383500      -1.823700       1.397800    
 H    2.202900      -1.037300     -0.5799000    
 H    2.176700      0.1324000      -1.897900    
 H   -3.354800       1.515400       1.881900    
 H   -3.087500       2.341600      0.3630000    
 H    3.045200      0.8128000      0.9841000    
 H    2.933500       1.942600     -0.3773000    
 H    4.542700      -1.093400      0.9264000    
 H    4.040200      -1.607200     -0.7019000    
 H    5.316500       2.384400     -0.1300000    
 H    5.355000       1.277200       1.257700    
 H    6.255400      -1.262100      -1.629700    
 H    6.305700      -2.350700     -0.2368000    
 H    7.604700       1.483100      0.2927000    
 H    7.027400       1.021500      -1.313900    
 H   -4.177500       1.546500      -1.712000    
 H   -4.832900     -0.4017000       2.077900    
 H   -6.142200      0.3822000      -2.643800    
 H   -6.806500      -1.552000       1.135500    
 H   -7.464400      -1.164800      -1.225000    


%chk=000031917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031917

0 1
O 7.461118 0.097813 0.021736
N 0.800456 0.088550 -0.170941
N -1.961388 0.505721 0.585363
N 4.596212 0.309396 -0.448579
C 0.410974 0.028887 1.272004
C -0.289721 -0.527915 -0.985582
C 0.216694 -1.437151 1.769218
C -0.512505 -2.027675 -0.622986
C -0.832902 0.930716 1.451877
C -1.545915 0.361041 -0.833535
C -0.773543 -2.247062 0.891052
C 2.173316 -0.365649 -0.488060
C -3.137801 1.390430 0.740555
C 3.199726 0.761440 -0.230076
C -4.422880 0.802616 0.163407
C 5.139032 -0.476144 0.690659
C 5.519057 1.428573 -0.772531
C 6.541212 -1.004860 0.346909
C 6.915841 0.877386 -1.103088
C -5.349164 1.627447 -0.520696
C -4.735920 -0.568485 0.345798
C -6.568305 1.099071 -1.005472
C -5.949699 -1.101163 -0.140263
C -6.873251 -0.268169 -0.816098
H 1.223585 0.492801 1.864859
H 0.013868 -0.465260 -2.049407
H 1.207166 -1.936829 1.767846
H -0.126389 -1.428617 2.822455
H -1.353419 -2.436847 -1.216794
H 0.394801 -2.589002 -0.928412
H -0.516468 1.980385 1.222431
H -1.171688 0.898373 2.506045
H -2.388245 -0.073228 -1.402892
H -1.306920 1.359850 -1.280536
H -0.694634 -3.325496 1.133502
H -1.800298 -1.920354 1.124415
H 2.473094 -1.284579 0.068431
H 2.216853 -0.626601 -1.561385
H -3.275670 1.557791 1.828766
H -2.960871 2.400039 0.285443
H 3.057251 1.176450 0.799841
H 2.980978 1.584494 -0.934147
H 5.201771 0.149286 1.618439
H 4.470962 -1.331123 0.902552
H 5.123968 1.976592 -1.648787
H 5.606123 2.152087 0.077729
H 6.472024 -1.702069 -0.515930
H 6.995226 -1.522156 1.208471
H 7.637709 1.693329 -1.273596
H 6.855144 0.234513 -2.007878
H -5.114638 2.688076 -0.677409
H -4.009838 -1.205980 0.862609
H -7.274256 1.750494 -1.533397
H -6.177756 -2.163206 0.007668
H -7.816074 -0.680622 -1.193100


