%chk=000052394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052394

0 1
 O  -0.7318000       2.923000      0.6484000    
 O    4.741400     -0.1738000      0.6459000    
 N   -3.716000     -0.2210000      0.1702000    
 C   -4.729800     -0.4393000       1.211600    
 C   -3.177900      -1.496600     -0.3230000    
 C   -2.637400      0.6277000      0.6761000    
 C   -5.890100      -1.284800      0.6837000    
 C   -4.287200      -2.376600     -0.9010000    
 C   -5.396600      -2.611500      0.1181000    
 C   -1.575700      0.9169000     -0.4024000    
 C   -2.175800       1.637100      -1.624300    
 C  -0.4953000       1.784800      0.2466000    
 C   -1.139600       1.937400      -2.699900    
 C   0.8923000       1.266500      0.3533000    
 C    1.087700     -9.4099998E-02  0.4727000    
 C    1.942700       2.160900      0.3293000    
 C    2.390800     -0.5818000      0.5724000    
 C    3.245700       1.673300      0.4288000    
 C    3.469800      0.3020000      0.5505000    
 C    4.987500      -1.478500      0.1233000    
 C    6.431700      -1.555200     -0.3477000    
 C    6.763500      -2.916300     -0.9326000    
 H   -5.134500      0.5243000       1.544100    
 H   -4.289000     -0.9287000       2.090200    
 H   -2.652100      -2.037600      0.4746000    
 H   -2.476000      -1.358400      -1.149000    
 H   -3.060500       1.580000       1.022900    
 H   -2.155100      0.1661000       1.549000    
 H   -6.609100      -1.471000       1.489500    
 H   -6.422900     -0.7294000     -9.8600000E-02
 H   -4.708200      -1.899000      -1.795100    
 H   -3.869800      -3.338700      -1.219200    
 H   -5.017400      -3.238900      0.9340000    
 H   -6.226600      -3.154400     -0.3474000    
 H   -1.108600      4.6999999E-03 -0.7723000    
 H   -2.644600       2.580100      -1.316600    
 H   -2.963400       1.023500      -2.076100    
 H  -0.6331000       1.022400      -3.023100    
 H  -0.3839000       2.645800      -2.347300    
 H   -1.625800       2.381300      -3.574700    
 H   0.2734000     -0.8074000      0.5420000    
 H    1.785400       3.230600      0.2289000    
 H    2.520400      -1.652200      0.7023000    
 H    4.082500       2.366200      0.4091000    
 H    4.340500      -1.696400     -0.7364000    
 H    4.808100      -2.218700      0.9118000    
 H    7.103900      -1.335800      0.4904000    
 H    6.617400     -0.7743000      -1.095000    
 H    6.131300      -3.136600      -1.798700    
 H    7.807800      -2.944200      -1.259100    
 H    6.618400      -3.708000     -0.1907000    


%chk=000052394-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052394

0 1
O -0.603762 3.295365 0.019494
O 4.750888 -0.221372 0.280670
N -3.413635 -0.376453 0.185251
C -4.350437 -0.576494 1.322722
C -2.924518 -1.670552 -0.352038
C -2.313998 0.558513 0.517730
C -5.563835 -1.428927 0.899843
C -4.093271 -2.562289 -0.819661
C -5.102425 -2.788276 0.327910
C -1.705501 1.258614 -0.745083
C -2.756423 2.148110 -1.447172
C -0.476343 2.069455 -0.290202
C -2.307272 2.636752 -2.840521
C 0.859399 1.400422 -0.168198
C 1.077522 0.025297 -0.446353
C 1.972416 2.184108 0.260304
C 2.353302 -0.558583 -0.308832
C 3.246564 1.621977 0.398266
C 3.445532 0.243477 0.113601
C 5.027747 -1.647337 0.004277
C 6.517864 -1.875656 0.266158
C 6.918525 -3.345620 0.014148
H -4.686614 0.417907 1.670414
H -3.838252 -1.077506 2.187650
H -2.327237 -2.223194 0.424156
H -2.248395 -1.470707 -1.204297
H -2.721740 1.352795 1.171479
H -1.503304 0.045778 1.094992
H -6.230722 -1.575936 1.771095
H -6.133889 -0.876846 0.127785
H -4.602759 -2.064558 -1.667189
H -3.694596 -3.527814 -1.186803
H -4.619238 -3.381020 1.132604
H -5.970024 -3.375064 -0.028590
H -1.377511 0.475415 -1.456605
H -2.959369 3.022719 -0.800554
H -3.688862 1.558712 -1.524392
H -2.086625 1.786113 -3.514333
H -1.399279 3.262872 -2.768983
H -3.096131 3.246394 -3.318242
H 0.248985 -0.610135 -0.775106
H 1.796665 3.242671 0.477672
H 2.486772 -1.621013 -0.530801
H 4.105447 2.217450 0.722191
H 4.768531 -1.875498 -1.050574
H 4.404214 -2.279654 0.670220
H 6.744391 -1.589558 1.309958
H 7.102658 -1.201225 -0.386367
H 6.719433 -3.645110 -1.032090
H 7.995598 -3.493867 0.205682
H 6.361911 -4.035250 0.676213


