%chk=000071970.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071970

0 1
 O  -0.7754000      0.7931000     -0.9768000    
 O    3.302900       2.800200      0.6504000    
 O   0.5907000       3.126400     -0.3536000    
 O    3.019800      -1.849600      0.3192000    
 O    1.299200      -3.284500      0.8333000    
 N   -4.255900      0.8459000      0.2151000    
 N   0.4131000      -1.690000     -0.6496000    
 N  -0.3535000      -3.867200     -0.6745000    
 C   -4.575800     -0.5144000      0.6471000    
 C   -5.499300       1.366200     -0.3530000    
 C   -5.945200     -0.3538000       1.290400    
 C   -6.553600      0.8799000      0.6307000    
 C   -3.153300      0.8824000     -0.7342000    
 C   -1.819800      0.7705000     -1.2700000E-02
 C   0.5074000      0.7208000     -0.4999000    
 C    1.119000     -0.5240000     -0.3302000    
 C    1.179400       1.907200     -0.1905000    
 C    3.123900      0.5550000      0.4749000    
 C    2.480200       1.774600      0.2918000    
 C    2.429300     -0.6253000      0.1571000    
 C    4.414500      0.8710000      0.9749000    
 C    4.471400       2.242700       1.062200    
 C   0.5330000      -2.967600     -7.3600002E-02
 C   0.7579000       3.761100      -1.619100    
 C    3.742200      -2.365600     -0.7932000    
 C  -0.4522000      -5.255200     -0.2860000    
 H   -4.647000      -1.208000     -0.2006000    
 H   -3.849600     -0.9120000       1.362800    
 H   -5.494200       2.457900     -0.4303000    
 H   -5.696700      0.9452000      -1.347300    
 H   -6.566700      -1.242300       1.139700    
 H   -5.851500     -0.1881000       2.370200    
 H   -6.759300       1.643200       1.390400    
 H   -7.496200      0.6463000      0.1255000    
 H   -3.241900      0.1134000      -1.512900    
 H   -3.151600       1.841100      -1.270800    
 H   -1.696600       1.608100      0.6855000    
 H   -1.762400     -0.1644000      0.5568000    
 H    5.206000      0.1838000       1.239000    
 H  -0.4269000      -1.546300      -1.205300    
 H    5.233000       2.939000       1.381700    
 H   0.2332000       4.720000      -1.593800    
 H   0.3278000       3.147600      -2.417100    
 H    1.818200       3.947000      -1.817800    
 H    4.078600      -3.376200     -0.5454000    
 H    4.621700      -1.746300     -0.9958000    
 H    3.110900      -2.417500      -1.685900    
 H  -0.9212000      -3.545000      -1.452000    
 H  -0.2309000      -5.371300      0.7779000    
 H   -1.465300      -5.603800     -0.4990000    
 H   0.2675000      -5.828900     -0.8752000    


%chk=000071970-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071970

0 1
O -0.610344 0.626799 -1.030451
O 3.230197 2.825957 1.216086
O 0.445135 3.058755 0.147809
O 3.700286 -1.630418 -0.095864
O 1.053447 -3.125258 0.791757
N -4.212774 0.834243 -0.032891
N 0.740373 -1.679655 -1.055777
N -0.296005 -3.778256 -1.012457
C -4.430277 -0.062421 1.138536
C -5.490529 0.822211 -0.789712
C -5.931051 0.130105 1.515187
C -6.548004 0.939429 0.327622
C -3.020311 0.533429 -0.841718
C -1.732161 0.806227 -0.057571
C 0.687168 0.667835 -0.457067
C 1.440596 -0.556854 -0.512654
C 1.199767 1.871093 0.080007
C 3.283017 0.602248 0.568520
C 2.498410 1.783389 0.617753
C 2.783504 -0.581072 -0.045104
C 4.564047 0.935888 1.165400
C 4.493208 2.259620 1.542099
C 0.532166 -2.878666 -0.335056
C 0.243819 3.720919 -1.162668
C 3.618546 -2.635484 -1.167703
C -0.660479 -5.068733 -0.422744
H -4.232040 -1.131372 0.867249
H -3.748788 0.203593 1.965532
H -5.522566 1.657957 -1.511546
H -5.631392 -0.133468 -1.359872
H -6.426982 -0.848707 1.637628
H -6.043066 0.678487 2.465484
H -6.669897 1.998923 0.610826
H -7.532264 0.550959 0.013329
H -3.011082 -0.529338 -1.204653
H -3.024305 1.186714 -1.734513
H -1.716180 1.838008 0.334245
H -1.589094 0.091375 0.775192
H 5.407017 0.262531 1.295800
H -0.004343 -1.397746 -1.703281
H 5.183190 2.941050 2.031787
H -0.377357 4.604344 -0.950691
H -0.275282 3.043578 -1.865732
H 1.216467 4.035767 -1.585208
H 4.635837 -3.052797 -1.232800
H 3.335025 -2.172134 -2.129709
H 2.906847 -3.432113 -0.898892
H -0.587595 -3.573203 -1.968563
H -0.205468 -5.111492 0.580032
H -1.757020 -5.174296 -0.321980
H -0.272614 -5.915650 -1.020501


