%chk=000040288.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040288

0 1
 O  -0.9584000       1.998700     -0.1930000    
 O   0.1097000      3.8500000E-02 -0.6181000    
 O    3.940400      -2.183000      0.5731000    
 N   -4.121600      9.4999999E-02  0.1842000    
 N    1.326100       1.883500      0.1969000    
 C   -4.958300     -0.1363000       1.370000    
 C   -3.850100      -1.161800     -0.5277000    
 C   -6.293600     -0.7766000      0.9870000    
 C   -5.148900      -1.835500     -0.9727000    
 C   -6.084900      -2.069900      0.2077000    
 C   -2.869500      0.7501000      0.5613000    
 C   -2.178700       1.406000     -0.6368000    
 C   -3.015500       2.503000      -1.282700    
 C   0.1628000       1.201600     -0.2257000    
 C    1.249200       3.281900      0.6449000    
 C    2.602600       1.200600      0.1886000    
 C    2.657000     -0.1789000      0.3874000    
 C    1.444700       4.245200     -0.5076000    
 C    3.778200       1.922400     -1.7999999E-02
 C    3.887000     -0.8367000      0.3794000    
 C    5.008200       1.264700     -2.5800001E-02
 C    5.062600     -0.1149000      0.1728000    
 C    2.817000      -2.946800      0.1370000    
 C    3.289200      -4.341000     -0.2459000    
 C    2.144900      -5.209900     -0.7361000    
 H   -5.172700      0.8174000       1.867600    
 H   -4.437600     -0.7742000       2.096400    
 H   -3.278400      -1.853700      0.1050000    
 H   -3.257800     -0.9859000      -1.431100    
 H   -6.879500     -0.9799000       1.890500    
 H   -6.877000     -7.3600002E-02  0.3788000    
 H   -5.651800      -1.207400      -1.719000    
 H   -4.922900      -2.791200      -1.459200    
 H   -7.047300      -2.455900     -0.1459000    
 H   -5.655200      -2.831300      0.8701000    
 H   -3.063400       1.543800       1.296700    
 H   -2.188900      5.3399999E-02   1.069000    
 H   -1.962900      0.6769000      -1.425000    
 H   -3.259000       3.287200     -0.5573000    
 H   -3.946800       2.112700      -1.703300    
 H   -2.450900       2.987300      -2.087300    
 H   0.2811000       3.469000       1.122200    
 H    2.005600       3.449800       1.420500    
 H    1.767000     -0.7338000      0.6597000    
 H    3.800200       2.995300     -0.1544000    
 H    1.472000       5.274200     -0.1347000    
 H   0.6048000       4.172800      -1.208000    
 H    2.349400       4.075500      -1.092600    
 H    5.924600       1.826700     -0.1814000    
 H    6.023700     -0.6217000      0.1667000    
 H    2.341300      -2.496800     -0.7443000    
 H    2.088300      -3.008900      0.9536000    
 H    4.059800      -4.268400      -1.022700    
 H    3.774200      -4.814600      0.6160000    
 H    1.379800      -5.324500      3.8199998E-02
 H    1.673700      -4.775400      -1.623500    
 H    2.512000      -6.206500      -1.000700    


%chk=000040288-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040288

0 1
O -0.963101 2.130412 -0.223809
O -0.016730 0.041294 -0.690459
O 4.151137 -2.230022 -0.084910
N -4.105086 0.082874 0.239595
N 1.290387 1.840142 0.167174
C -5.178253 0.043156 1.264515
C -3.737927 -1.284311 -0.215764
C -6.445420 -0.632515 0.698809
C -4.954819 -2.002098 -0.832992
C -6.126108 -2.052318 0.175300
C -2.926088 0.887116 0.632257
C -2.300006 1.566328 -0.610119
C -3.122386 2.738171 -1.139207
C 0.116939 1.226990 -0.277419
C 1.221581 3.255092 0.643720
C 2.576498 1.179633 0.134297
C 2.683724 -0.234866 0.024475
C 1.345093 4.291914 -0.491564
C 3.762605 1.957023 0.240363
C 3.959059 -0.844586 0.024073
C 5.024382 1.320964 0.246066
C 5.142544 -0.075302 0.139872
C 2.959635 -3.088228 -0.235538
C 3.461049 -4.528540 -0.363799
C 2.293524 -5.525252 -0.532767
H -5.406724 1.080769 1.572338
H -4.847746 -0.513696 2.181678
H -3.348265 -1.893032 0.642963
H -2.917117 -1.209190 -0.951271
H -7.224236 -0.672029 1.484888
H -6.835498 -0.011729 -0.131067
H -5.269054 -1.453597 -1.741993
H -4.662042 -3.024225 -1.141587
H -7.022538 -2.502248 -0.292034
H -5.846196 -2.703767 1.029417
H -3.243534 1.673660 1.342823
H -2.146463 0.271003 1.139447
H -2.124426 0.808284 -1.393854
H -3.166256 3.555063 -0.396232
H -4.148426 2.381143 -1.336185
H -2.695749 3.138110 -2.075064
H 0.257032 3.388988 1.155743
H 2.017408 3.388312 1.395516
H 1.774901 -0.824577 -0.081824
H 3.726311 3.046520 0.296785
H 1.328359 5.314629 -0.071513
H 0.497190 4.194222 -1.190197
H 2.282059 4.167006 -1.061475
H 5.928420 1.934790 0.325353
H 6.112709 -0.579643 0.136942
H 2.389736 -2.781369 -1.136960
H 2.302154 -2.972470 0.651513
H 4.146301 -4.590745 -1.229784
H 4.055169 -4.781523 0.534233
H 1.608421 -5.495236 0.335447
H 1.699936 -5.299607 -1.438534
H 2.671431 -6.558688 -0.626882


