%chk=000103430.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103430

0 1
 O    1.916500       1.642700      0.3106000    
 O    2.627400      -2.272000      0.4511000    
 N   -1.001800      0.1591000      0.4472000    
 N  -0.6070000      -2.025200      0.5213000    
 N   -3.738400       4.165800      0.9166000    
 N    2.103600       4.015400      -2.461800    
 N    5.591200     -0.8911000      -1.179900    
 C   0.2513000      2.3000000E-02  0.9749000    
 C   -1.477300      -1.096900      0.1908000    
 C   0.4725000      -1.333700       1.011200    
 C   -1.689900       1.408200      0.2071000    
 C    1.090300       1.166100       1.377500    
 C    1.663800      -2.054100       1.487800    
 C   -2.780600      -1.345500     -0.3753000    
 C   -2.528800       1.879700       1.395500    
 C   -3.883400      -1.513800      0.4622000    
 C   -2.938400      -1.418200      -1.759300    
 C    2.709900       2.740400      0.7289000    
 C    3.759900      -2.967100      0.9440000    
 C   -5.143900      -1.755200     -8.4399998E-02
 C   -4.198900      -1.659500      -2.305800    
 C   -5.301600      -1.827900      -1.468200    
 C   -3.204100       3.157600       1.127300    
 C    3.573000       3.218400     -0.4304000    
 C    4.759900      -3.179800     -0.1838000    
 C    2.750800       3.663700      -1.565300    
 C    5.224000      -1.900000     -0.7398000    
 H  -0.9431000       2.163200     -6.6699997E-02
 H   -2.318100       1.291200     -0.6837000    
 H   0.4788000       1.991400       1.759200    
 H    1.740900      0.8580000       2.205600    
 H    2.137100      -1.498500       2.306300    
 H    1.354900      -3.027100       1.890400    
 H   -3.280300       1.124700       1.650500    
 H   -1.893700       1.987500       2.282600    
 H   -3.776800      -1.462700       1.543200    
 H   -2.088600      -1.288900      -2.425400    
 H    3.357500       2.432200       1.558000    
 H    2.060600       3.554100       1.075100    
 H    3.450700      -3.941100       1.341000    
 H    4.223000      -2.390000       1.754000    
 H   -6.002400      -1.886700      0.5677000    
 H   -4.321900      -1.716100      -3.383400    
 H   -6.283000      -2.015800      -1.893800    
 H    4.219000       2.398900     -0.7665000    
 H    4.220400       4.035800     -9.5500000E-02
 H    4.288000      -3.759300     -0.9860000    
 H    5.614100      -3.757600      0.1850000    


%chk=000103430-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103430

0 1
O 1.871468 1.427763 -0.142739
O 2.678871 -2.279125 0.907815
N -0.836616 0.111527 0.270955
N -0.873311 -2.125474 0.646379
N -3.051864 4.493878 0.735341
N 1.074977 4.278196 -2.312525
N 5.406683 0.088760 0.915324
C 0.408405 -0.229874 0.837177
C -1.590910 -1.073304 0.169949
C 0.358082 -1.613684 1.052993
C -1.260385 1.503103 0.011783
C 1.492047 0.756588 1.122170
C 1.407795 -2.512585 1.631328
C -2.963992 -1.226938 -0.349460
C -2.359141 1.937758 1.026213
C -3.740463 -2.304103 0.166959
C -3.535917 -0.404383 -1.360007
C 2.948380 2.408856 0.049882
C 3.806971 -3.001419 1.487088
C -5.053063 -2.531440 -0.290897
C -4.853053 -0.633299 -1.814130
C -5.621365 -1.691469 -1.278528
C -2.741400 3.349285 0.864751
C 3.216761 3.024926 -1.335481
C 5.053560 -2.543979 0.701773
C 2.038155 3.722188 -1.880605
C 5.269152 -1.091692 0.820240
H -0.370628 2.145133 0.090291
H -1.624465 1.613424 -1.020370
H 1.169690 1.535784 1.851905
H 2.362108 0.217127 1.541113
H 1.576736 -2.313667 2.713796
H 1.075775 -3.563102 1.513422
H -3.259546 1.308355 0.900025
H -1.991375 1.781503 2.057943
H -3.285775 -2.953109 0.921523
H -2.951571 0.390158 -1.832664
H 3.866772 1.910201 0.419168
H 2.636383 3.190467 0.776399
H 3.684147 -4.099903 1.371803
H 3.915591 -2.769922 2.569631
H -5.634750 -3.362956 0.122228
H -5.272499 0.009292 -2.595858
H -6.643821 -1.864797 -1.631321
H 3.509032 2.218918 -2.033098
H 4.062622 3.734347 -1.267961
H 4.913303 -2.791379 -0.366349
H 5.949539 -3.082630 1.062223


