%chk=000131754.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131754

0 1
 O   -1.741400      -1.833500     -0.1165000    
 N   0.7654000      0.7650000     -1.0700000E-02
 C    2.227800      0.7470000      1.4100000E-02
 C    2.708500       1.606900      -1.189800    
 C    2.716900       1.433500       1.321700    
 C   0.2226000      0.1129000       1.185300    
 C   0.2639000      0.1283000      -1.233300    
 C   -1.959800     -0.4155000     -7.0000000E-02
 C    2.330400       3.087400      -1.089400    
 C    2.352700       2.917600       1.420800    
 C   -1.310500      0.1631000       1.208400    
 C   -1.265700      0.2092000      -1.300800    
 C    2.833800       3.703200      0.2088000    
 C    2.724400     -0.7119000     -3.0400001E-02
 C   -3.478600     -0.2389000     -2.6900001E-02
 C    2.954000      -1.326100      -1.257600    
 C    2.939400      -1.404600       1.157000    
 C   -4.129100      0.4450000      -1.052900    
 C   -4.210000     -0.7619000       1.038300    
 C    3.402900      -2.646200      -1.298100    
 C    3.388400      -2.724600       1.116700    
 C    3.620100      -3.345400     -0.1109000    
 C   -5.514100      0.6065000      -1.013500    
 C   -5.595000     -0.6006000       1.077800    
 C   -6.247000      8.3600000E-02  5.1899999E-02
 H    2.418400       1.246100      -2.179000    
 H    3.808300       1.556500      -1.212500    
 H    3.816500       1.373400       1.341000    
 H    2.411900      0.9663000       2.260100    
 H   0.5123000      0.6148000       2.110900    
 H   0.4966000     -0.9411000       1.273700    
 H   0.5155000     -0.9319000      -1.313500    
 H   0.5992000      0.6229000      -2.146900    
 H    1.243400       3.208200      -1.164400    
 H    2.765000       3.630400      -1.937000    
 H    2.803900       3.341400       2.325800    
 H    1.267900       3.033700       1.529600    
 H   -1.640600     -0.3891000       2.097100    
 H   -1.628800       1.206400       1.342700    
 H   -1.533100       1.270600      -1.392600    
 H   -1.590200     -0.2994000      -2.218200    
 H    3.930500       3.727400      0.2011000    
 H    2.493700       4.742200      0.2821000    
 H    2.801600     -0.8250000      -2.206700    
 H    2.767900     -0.9881000       2.141400    
 H  -0.7924000      -2.015700     -3.0800000E-02
 H   -3.609800      0.8634000      -1.907600    
 H   -3.725500      -1.309400       1.841700    
 H    3.583400      -3.130100      -2.253500    
 H    3.554900      -3.271100       2.040500    
 H    3.968700      -4.373500     -0.1422000    
 H   -6.022800       1.137200      -1.813000    
 H   -6.166300      -1.010400       1.905600    
 H   -7.325500      0.2081000      8.2000002E-02


%chk=000131754-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131754

0 1
O -1.936979 -1.896571 -0.000112
N 0.784608 0.558570 -0.000601
C 2.303482 0.688081 0.006923
C 2.756520 1.521273 -1.236312
C 2.755787 1.518665 1.252268
C 0.176477 -0.029169 1.218675
C 0.202851 -0.081388 -1.207715
C -2.048952 -0.412003 -0.022840
C 2.170124 2.951601 -1.257978
C 2.168752 2.948805 1.279033
C -1.354008 0.178184 1.238884
C -1.324021 0.140286 -1.275746
C 2.561134 3.739832 0.011562
C 2.962361 -0.724034 0.008117
C -3.555890 -0.126140 -0.004891
C 3.271833 -1.399934 -1.204948
C 3.191940 -1.433688 1.220041
C -4.100980 1.070949 -0.534074
C -4.437536 -1.071072 0.581067
C 3.793941 -2.712656 -1.210001
C 3.713652 -2.746609 1.222651
C 4.018775 -3.396850 0.005691
C -5.491103 1.321865 -0.473011
C -5.825844 -0.822328 0.642655
C -6.360233 0.377954 0.118707
H 2.506406 1.014944 -2.185257
H 3.863628 1.574007 -1.204819
H 3.862466 1.574008 1.216405
H 2.512444 1.007887 2.200355
H 0.597423 0.455648 2.114109
H 0.411256 -1.122696 1.313224
H 0.431575 -1.178510 -1.246290
H 0.652920 0.359208 -2.111670
H 1.066743 2.890604 -1.322637
H 2.526378 3.479640 -2.164375
H 2.525598 3.474079 2.186769
H 1.065183 2.889846 1.344060
H -1.781529 -0.300133 2.139863
H -1.569594 1.261241 1.293194
H -1.507733 1.227076 -1.363356
H -1.731703 -0.354753 -2.176695
H 3.657845 3.913337 0.012458
H 2.077339 4.735760 0.012491
H 3.120423 -0.899856 -2.166981
H 2.976983 -0.960231 2.183578
H -0.976500 -2.138046 0.051470
H -3.451122 1.816912 -1.004542
H -4.021778 -2.006083 0.967370
H 4.026799 -3.198832 -2.164570
H 3.883912 -3.259369 2.176540
H 4.425365 -4.414365 0.004870
H -5.893430 2.252593 -0.889613
H -6.491523 -1.565598 1.096794
H -7.437865 0.572258 0.166611


