%chk=000049586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049586

0 1
 O   -6.881300     -0.1101000     -0.5668000    
 O  -0.5263000     -0.1130000      0.1795000    
 O   0.3322000       2.031900      0.1744000    
 N   -4.201700     -0.2895000      0.3759000    
 C   -4.551500      0.5262000     -0.7951000    
 C   -5.138100      -1.414900      0.5035000    
 C   -2.824300     -0.7687000      0.2818000    
 C   -5.996000       1.004700     -0.6798000    
 C   -6.569000     -0.8912000      0.5873000    
 C   -1.850500      0.3985000      0.2539000    
 C   0.4700000      0.8192000      0.1464000    
 C    1.763500      0.1031000      6.8300001E-02
 C    4.251600      0.2080000     -3.1599998E-02
 C    2.905700      0.8041000      3.5200000E-02
 C    4.394600      -1.096200     -0.4767000    
 C    5.348100      0.9632000      0.3519000    
 C    5.668600      -1.660700     -0.5397000    
 C    6.622100      0.3986000      0.2887000    
 C    6.782200     -0.9133000     -0.1571000    
 H   -4.429100     -5.4200001E-02  -1.718700    
 H   -3.941700       1.430100     -0.8699000    
 H   -4.918000      -1.992800       1.408300    
 H   -5.045600      -2.086200     -0.3603000    
 H   -2.671600      -1.403000     -0.6018000    
 H   -2.582800      -1.396500       1.149500    
 H   -6.135100       1.671200      0.1802000    
 H   -6.277600       1.562000      -1.579200    
 H   -7.271500      -1.730100      0.6210000    
 H   -6.727500     -0.2894000       1.490500    
 H   -1.956200       1.007100       1.160300    
 H   -1.991800       1.032100     -0.6259000    
 H    1.725400     -0.9798000      6.4599998E-02
 H    2.880200       1.891100      6.8899997E-02
 H    3.560000      -1.707300     -0.8050000    
 H    5.239600       1.986100      0.7028000    
 H    5.794600      -2.680500     -0.8916000    
 H    7.489600      0.9804000      0.5867000    
 H    7.774300      -1.352400     -0.2075000    


%chk=000049586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049586

0 1
O -7.126398 -0.045763 -0.415119
O -0.545055 -0.180758 0.143752
O 0.360298 1.933540 0.573469
N -4.286867 -0.275381 0.166889
C -4.777441 0.524059 -0.987558
C -5.228249 -1.389714 0.454226
C -2.887251 -0.733897 0.005394
C -6.190827 1.055546 -0.697830
C -6.632338 -0.828062 0.730366
C -1.903366 0.394980 0.334995
C 0.526999 0.716208 0.301720
C 1.807662 0.011829 0.103743
C 4.347376 0.131286 0.058128
C 2.995450 0.681760 0.219691
C 4.599892 -1.234779 -0.265004
C 5.462124 1.001490 0.233096
C 5.918369 -1.707266 -0.405570
C 6.783170 0.528128 0.092560
C 7.016634 -0.829189 -0.227521
H -4.800732 -0.091668 -1.922396
H -4.099307 1.379762 -1.161177
H -4.871854 -1.939980 1.345446
H -5.286517 -2.111185 -0.399407
H -2.677814 -1.120690 -1.021552
H -2.707267 -1.567194 0.708825
H -6.155479 1.749639 0.169295
H -6.606428 1.577592 -1.575430
H -7.365365 -1.639326 0.872320
H -6.602580 -0.186056 1.637089
H -2.016850 0.731446 1.380240
H -2.013708 1.273581 -0.325641
H 1.741689 -1.054519 -0.132561
H 2.927874 1.752614 0.463559
H 3.762620 -1.926825 -0.406659
H 5.281829 2.054562 0.481662
H 6.096737 -2.759316 -0.654056
H 7.626923 1.212613 0.231643
H 8.041148 -1.201266 -0.337728


