%chk=000047099.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047099

0 1
 O   -1.124400      0.2177000      7.9899997E-02
 O  -0.1355000       2.294500      0.2305000    
 N    1.154000      0.3966000      5.2200001E-02
 N   -4.811100      0.2737000      0.1682000    
 C    1.371100     -0.9879000     -6.4099997E-02
 C    2.404700       1.035800      7.9899997E-02
 C    2.753600      -1.203900     -0.1094000    
 C    3.397200      5.9000000E-02 -1.9400001E-02
 C   -3.470700     -0.2863000      8.1100002E-02
 C   -2.423700      0.8139000      0.1515000    
 C   -5.819200     -0.7889000      0.1427000    
 C   -5.048700       1.221800     -0.9229000    
 C  -8.2999997E-02   1.079200      0.1310000    
 C   0.4885000      -2.088500     -0.1351000    
 C    2.758100       2.398300      0.1839000    
 C    3.253900      -2.521600     -0.2263000    
 C    4.757600      0.4438000     -1.5100000E-02
 C    1.006800      -3.383100     -0.2502000    
 C    4.110200       2.756500      0.1861000    
 C    2.374100      -3.600300     -0.2957000    
 C    5.100900       1.791800      8.7800004E-02
 C   -5.594200      -1.786500       1.266300    
 C   -6.420100       1.864500     -0.8030000    
 H   -3.328700     -0.8756000     -0.8349000    
 H   -3.251300     -0.9607000      0.9163000    
 H   -2.513500       1.375100       1.089600    
 H   -2.484100       1.501800     -0.6958000    
 H   -6.819100     -0.3756000      0.3102000    
 H   -5.834000      -1.316200     -0.8196000    
 H   -4.354000       2.064300     -0.8765000    
 H   -4.939700      0.7522000      -1.908500    
 H  -0.5887000      -1.976600     -0.1039000    
 H    2.015200       3.183800      0.2626000    
 H    4.325300      -2.701900     -0.2624000    
 H    5.542200     -0.3044000     -9.1700003E-02
 H   0.3250000      -4.228000     -0.3045000    
 H    4.385000       3.805000      0.2660000    
 H    2.762700      -4.610500     -0.3853000    
 H    6.146900       2.084200      9.0800002E-02
 H   -4.755300      -2.460400       1.066800    
 H   -5.432900      -1.287800       2.228300    
 H   -6.481400      -2.421000       1.374500    
 H   -7.227600       1.184800      -1.091800    
 H   -6.609600       2.232800      0.2112000    
 H   -6.482800       2.725200      -1.478800    


%chk=000047099-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047099

0 1
O -1.120868 0.071750 0.052011
O -0.206431 2.157485 0.566809
N 1.178830 0.312767 0.096624
N -4.860473 0.128251 -0.085503
C 1.453662 -1.056880 -0.249406
C 2.434265 0.995667 0.261436
C 2.875684 -1.224452 -0.298847
C 3.488981 0.061457 0.021204
C -3.486986 -0.424698 -0.150674
C -2.481045 0.669046 0.228949
C -5.862643 -0.817555 0.472390
C -5.288315 0.768177 -1.360043
C -0.060518 0.948206 0.264074
C 0.581327 -2.131466 -0.516780
C 2.693042 2.339444 0.598146
C 3.430166 -2.483148 -0.618146
C 4.834747 0.478443 0.119393
C 1.156602 -3.383574 -0.834479
C 4.047335 2.735788 0.691296
C 2.563488 -3.563716 -0.885969
C 5.108083 1.821487 0.456050
C -5.725967 -1.006306 1.995135
C -6.342906 1.872292 -1.155829
H -3.235605 -0.828812 -1.159496
H -3.388664 -1.261169 0.563577
H -2.605610 0.983056 1.278893
H -2.564903 1.560693 -0.416856
H -6.865208 -0.404763 0.259585
H -5.815502 -1.812543 -0.038863
H -4.393276 1.220153 -1.827363
H -5.670563 0.007059 -2.086484
H -0.499406 -1.999580 -0.479941
H 1.877138 3.040192 0.778284
H 4.516597 -2.617663 -0.656771
H 5.652129 -0.227866 -0.062228
H 0.495809 -4.231859 -1.045405
H 4.278543 3.774636 0.951547
H 2.975880 -4.547346 -1.135048
H 6.145434 2.163751 0.537031
H -4.745079 -1.434020 2.272556
H -5.831186 -0.035084 2.508894
H -6.506702 -1.693909 2.370474
H -7.274994 1.476551 -0.713751
H -5.950543 2.651845 -0.480165
H -6.604647 2.338815 -2.123811


