%chk=000060857.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060857

0 1
 O   -5.130700       1.187700     -3.7700001E-02
 O   -4.146300       2.692500      -1.459300    
 N   -2.943200      0.9613000     -0.4744000    
 N    2.343700      -2.944800     -0.7814000    
 N    4.066800       2.559600      0.2212000    
 C   -3.272100     -0.1974000      0.2944000    
 C   -2.243700     -0.5222000       1.359700    
 C   -1.052200      -1.227000      0.8010000    
 C    1.161400      -1.150900     -0.1802000    
 C    2.409000     -0.7269000     -0.7173000    
 C   -4.630000      0.1753000      0.8528000    
 C    1.145900      -2.546400     -0.2319000    
 C   4.0199999E-02 -0.4794000      0.3464000    
 C    2.873600      0.6668000     -0.8675000    
 C   -1.039900      -2.619000      0.7371000    
 C    3.639100       1.172800      0.3702000    
 C    3.113800      -1.852300      -1.077800    
 C   6.1000001E-02  -3.306900      0.2186000    
 C   -4.068300       1.714700     -0.7290000    
 C    4.749700       3.020300       1.431100    
 C    2.922100       3.422100     -7.5999998E-02
 H   -3.388800      -1.023600     -0.4186000    
 H   -2.697900      -1.163000       2.127600    
 H   -1.926200      0.3860000       1.889700    
 H   -5.317500     -0.6757000      0.8665000    
 H   -4.580400      0.6073000       1.858400    
 H   2.9800000E-02  0.6058000      0.4012000    
 H    3.518000      0.7486000      -1.752900    
 H    1.989500       1.279500      -1.074400    
 H   -2.050500       1.118200     -0.9317000    
 H   -1.894000      -3.192900       1.090000    
 H    4.519800      0.5348000      0.5215000    
 H    3.007700       1.052800       1.261800    
 H    4.093500      -1.975400      -1.518500    
 H   6.9499999E-02  -4.390600      0.1686000    
 H    2.614600      -3.905100     -0.9421000    
 H    5.620600       2.390700       1.644800    
 H    4.091900       3.009100       2.307800    
 H    5.127600       4.039900       1.295900    
 H    3.215600       4.477700     -2.0400001E-02
 H    2.090600       3.273300      0.6227000    
 H    2.566300       3.285900      -1.101900    


%chk=000060857-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060857

0 1
O -5.037107 1.365015 -0.023761
O -4.016481 2.269389 -1.943396
N -3.032204 0.512501 -0.676199
N 2.311404 -2.983224 -1.001064
N 4.026189 2.612520 0.346538
C -3.385557 -0.364941 0.449149
C -2.230388 -0.546158 1.469001
C -1.022045 -1.243400 0.857814
C 1.170889 -1.159363 -0.234390
C 2.419357 -0.699724 -0.823465
C -4.610570 0.406925 1.031322
C 1.130944 -2.594009 -0.361074
C 0.077324 -0.495243 0.383322
C 2.912207 0.724075 -0.911991
C -1.023384 -2.669074 0.719727
C 3.409711 1.269587 0.453750
C 3.080509 -1.840996 -1.278825
C 0.044002 -3.359426 0.114901
C -3.992996 1.459386 -1.000624
C 4.792289 2.963249 1.560568
C 3.062515 3.673555 -0.011783
H -3.690068 -1.364831 0.076230
H -2.624590 -1.130278 2.324108
H -1.952372 0.454305 1.850794
H -5.467329 -0.246436 1.255843
H -4.330904 0.990230 1.928261
H 0.087014 0.595389 0.500530
H 3.750825 0.801985 -1.628138
H 2.100366 1.370989 -1.297963
H -2.217431 0.356764 -1.266801
H -1.877055 -3.239434 1.106998
H 4.178247 0.575008 0.841969
H 2.562788 1.257618 1.189970
H 4.040654 -1.921455 -1.785747
H 0.025291 -4.451216 0.024567
H 2.566783 -3.938159 -1.241318
H 5.558445 2.191189 1.753586
H 4.156602 3.056763 2.478548
H 5.310182 3.927294 1.407658
H 3.592859 4.639282 -0.090014
H 2.239307 3.791300 0.740288
H 2.603379 3.466249 -0.992887


