%chk=000093365.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093365

0 1
 O   -4.653200      -1.600800     -0.2833000    
 N   -2.890700      0.5623000      0.2725000    
 C   -1.624700       1.117700      0.7473000    
 C  -0.9278000       1.974400     -0.3294000    
 C   -2.670100     -0.3325000     -0.8730000    
 C   -3.578000     -0.1637000       1.350400    
 C   -4.010900     -0.8989000      -1.353200    
 C   -4.901800     -0.7340000      0.8287000    
 C   0.4135000       2.541900      0.1879000    
 C   -1.820600       3.138200     -0.7817000    
 C   -3.811700      -1.882100      -2.498600    
 C   -5.608100      -1.549900       1.903000    
 C    1.555600       1.555600      0.1487000    
 C    4.782400      -1.227800      3.9099999E-02
 C    3.653500     -0.2541000      7.7600002E-02
 C    1.793100      0.7478000       1.249300    
 C    2.346200       1.476600     -0.9867000    
 C    2.848900     -0.1629000       1.213700    
 C    3.402100      0.5658000      -1.022500    
 C    4.273600      -2.691400      0.2217000    
 C    5.814100     -0.9435000       1.174500    
 C    5.614700      -1.238700      -1.286100    
 H  -0.9628000      0.3076000       1.073800    
 H   -1.812700       1.749500       1.625400    
 H  -0.6916000       1.374300      -1.214500    
 H   -1.994300      -1.151100     -0.5914000    
 H   -2.233500      0.1939000      -1.725900    
 H   -3.783700      0.5139000       2.187700    
 H   -2.940900     -0.9774000       1.722700    
 H   -4.672000     -9.1799997E-02  -1.695400    
 H   -5.570700      7.4500002E-02  0.5060000    
 H   0.7070000       3.413200     -0.4140000    
 H   0.2955000       2.933100       1.207400    
 H   -2.752300       2.781400      -1.231800    
 H   -1.312200       3.747500      -1.536900    
 H   -2.076400       3.789800      6.0800001E-02
 H   -3.197900      -2.733400      -2.183900    
 H   -4.775200      -2.292400      -2.820000    
 H   -3.333300      -1.401900      -3.357600    
 H   -6.544300      -1.963700       1.512900    
 H   -4.995100      -2.402200       2.216400    
 H   -5.836100     -0.9387000       2.781400    
 H    1.178800      0.8156000       2.142400    
 H    2.156200       2.109200      -1.849100    
 H    3.023300     -0.7877000       2.084900    
 H    3.994600      0.5363000      -1.930200    
 H    3.547000      -2.950800     -0.5573000    
 H    3.784600      -2.836500       1.191200    
 H    5.099000      -3.410500      0.1652000    
 H    6.212900      7.4500002E-02   1.091900    
 H    6.658900      -1.640600       1.129500    
 H    5.365900      -1.043100       2.169100    
 H    6.081200     -0.2649000      -1.475500    
 H    4.992100      -1.501800      -2.149300    
 H    6.423900      -1.977500      -1.238100    


%chk=000093365-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093365

0 1
O -4.547539 -1.694957 -0.508312
N -2.756925 0.466492 0.203234
C -1.569166 1.130845 0.800159
C -0.982770 2.247912 -0.100634
C -2.395850 -0.521126 -0.845078
C -3.638600 -0.167083 1.215574
C -3.663349 -1.076718 -1.522484
C -4.912485 -0.722182 0.546865
C 0.400252 2.728007 0.439393
C -1.971428 3.426936 -0.225405
C -3.367234 -2.164807 -2.555007
C -5.828964 -1.465038 1.519213
C 1.513539 1.695591 0.316540
C 4.732826 -1.338409 -0.044057
C 3.608857 -0.278584 0.053170
C 2.082193 1.069204 1.454743
C 2.018767 1.320332 -0.953260
C 3.104989 0.106568 1.325410
C 3.041751 0.354145 -1.082991
C 4.249333 -2.667547 0.610648
C 5.994578 -0.822164 0.712035
C 5.134791 -1.640649 -1.510689
H -0.770507 0.388126 1.044854
H -1.886263 1.592838 1.757159
H -0.812923 1.827742 -1.113527
H -1.811886 -1.376666 -0.416969
H -1.764045 -0.030580 -1.607641
H -3.924036 0.596295 1.964003
H -3.125599 -1.006564 1.752626
H -4.206577 -0.224599 -1.990718
H -5.448920 0.129336 0.069715
H 0.678814 3.642563 -0.121813
H 0.282974 3.033287 1.498772
H -2.967970 3.053334 -0.519124
H -1.630932 4.162279 -0.978344
H -2.074081 3.957572 0.741924
H -2.834238 -3.010004 -2.084173
H -4.309971 -2.547695 -2.981592
H -2.745239 -1.766642 -3.377243
H -6.707606 -1.861778 0.982735
H -5.295307 -2.315031 1.980708
H -6.181874 -0.790156 2.320380
H 1.719924 1.342377 2.454074
H 1.612598 1.796028 -1.855691
H 3.515519 -0.350422 2.233914
H 3.399510 0.100322 -2.085638
H 3.359106 -3.061543 0.087040
H 3.981749 -2.525518 1.672859
H 5.048274 -3.431422 0.560998
H 6.368618 0.114224 0.258832
H 6.803155 -1.576384 0.668854
H 5.776558 -0.618236 1.775708
H 5.521771 -0.741182 -2.024300
H 4.283175 -2.036625 -2.094490
H 5.934661 -2.403743 -1.525258


