%chk=000102658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102658

0 1
 O    1.514300     -0.9694000     -0.1382000    
 O    1.674200       1.416100     -1.3000000E-02
 O   -2.138400      -2.269400     -0.1523000    
 N   -2.969500       1.224000      0.4184000    
 C    2.280600      0.1969000     -0.4486000    
 C    3.596300      6.9100000E-02  0.3065000    
 C  -0.7860000     -0.3026000     -0.4768000    
 C   0.3672000      -1.136500     -0.9674000    
 C  -0.6868000       1.094500     -0.4057000    
 C   0.5643000       1.818700     -0.8113000    
 C    3.351400      6.3999998E-03   1.814100    
 C    4.370700      -1.163700     -0.1596000    
 C   -1.983000     -0.9185000     -9.8700002E-02
 C   -1.803300       1.795900      4.3900002E-02
 C   -3.028700     -0.1210000      0.3372000    
 C   -4.323400     -0.7405000      0.7515000    
 H    2.492800      0.2432000      -1.525400    
 H    4.205600      0.9604000      0.1075000    
 H   0.1571000      -2.207100     -0.9407000    
 H   0.5951000     -0.9005000      -2.014400    
 H   0.7692000       1.685600      -1.880500    
 H   0.4406000       2.895300     -0.6493000    
 H    2.760300     -0.8703000       2.099400    
 H    4.305000     -5.3800002E-02   2.350700    
 H    2.832900      0.8996000       2.177300    
 H    3.840600      -2.093800      7.1000002E-02
 H    5.348600      -1.209800      0.3319000    
 H    4.544400      -1.129200      -1.240300    
 H   -1.792900       2.879400      0.1186000    
 H   -5.040700      2.3600001E-02   1.069600    
 H   -4.769300      -1.290200     -8.3600000E-02
 H   -4.169000      -1.424300       1.592300    
 H   -1.716400      -2.606400     -0.9593000    


%chk=000102658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102658

0 1
O 1.531602 -0.998452 -0.167098
O 1.704358 1.431140 0.002554
O -2.306857 -2.282026 -0.134467
N -3.046665 1.268307 0.364156
C 2.347199 0.195708 -0.427247
C 3.666605 0.052306 0.348085
C -0.843350 -0.304033 -0.537086
C 0.345854 -1.110351 -1.033927
C -0.741452 1.115987 -0.449186
C 0.542507 1.831478 -0.822841
C 3.420698 -0.081882 1.868418
C 4.491680 -1.129591 -0.210070
C -2.063751 -0.897755 -0.132307
C -1.859067 1.843314 0.005699
C -3.158018 -0.086998 0.305214
C -4.461375 -0.720068 0.725463
H 2.520053 0.252079 -1.532470
H 4.217423 0.995827 0.161376
H 0.137180 -2.195213 -1.079343
H 0.610516 -0.789509 -2.066715
H 0.790628 1.668069 -1.896631
H 0.434977 2.915249 -0.652504
H 2.874683 -1.014853 2.091334
H 4.384518 -0.102009 2.408930
H 2.822987 0.765085 2.245226
H 3.948869 -2.080111 -0.065817
H 5.461867 -1.200334 0.313828
H 4.699617 -1.011353 -1.291043
H -1.813967 2.935236 0.093585
H -5.167829 0.071037 1.018938
H -4.896248 -1.321798 -0.093598
H -4.309670 -1.413151 1.573495
H -1.481772 -2.799637 -0.309154


