%chk=000093738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093738

0 1
 O   -1.088300       1.471700      0.6249000    
 O    2.257000       1.774700      -1.345300    
 O   0.8025000      -1.749200      0.6739000    
 N   0.6669000      8.8000000E-02 -0.7725000    
 N   -2.790600     -7.1300000E-02  0.2726000    
 C  -0.7355000     -0.1164000      -1.088200    
 C  -0.9316000      0.6048000      -2.404800    
 C   5.7100002E-02   1.759500      -2.337100    
 C   -1.546000      0.5034000      1.2100000E-02
 C    1.165400       1.234900      -1.454100    
 C   -3.679000      0.4312000       1.312900    
 C   -3.293900      -1.218600     -0.4786000    
 C    1.317900     -0.7746000      0.1294000    
 C   -4.630400       1.503400      0.7956000    
 C   -2.896300      -2.546600      0.1546000    
 C    2.719100     -0.4790000      0.4616000    
 C   -5.547200       2.049500       1.881000    
 C   -3.398300      -3.747800     -0.6339000    
 C    3.015400      0.3501000       1.540700    
 C    3.744000      -1.029600     -0.3040000    
 C    4.344800      0.6304000       1.856200    
 C    5.073400     -0.7492000      1.1600000E-02
 C    5.373800      8.0799997E-02   1.091700    
 H  -0.8955000      -1.190000      -1.184600    
 H  -0.6550000     -5.7900000E-02  -3.234600    
 H   -1.955600      0.9503000      -2.576800    
 H   0.4404000       2.022000      -3.326300    
 H  -0.3841000       2.642400      -1.864200    
 H   -4.231400     -0.4058000       1.754900    
 H   -3.059700      0.8616000       2.109000    
 H   -4.387800      -1.146100     -0.5254000    
 H   -2.960500      -1.173500      -1.519400    
 H   -5.244000       1.097100     -1.7100001E-02
 H   -4.054800       2.331500      0.3643000    
 H   -3.298000      -2.602900       1.173500    
 H   -1.808600      -2.618900      0.2557000    
 H   -6.166500       1.253100       2.305700    
 H   -6.211700       2.814500       1.467400    
 H   -4.966900       2.503400       2.690500    
 H   -4.490100      -3.736200     -0.7108000    
 H   -3.101200      -4.677800     -0.1395000    
 H   -2.981400      -3.751400      -1.646100    
 H    2.220500      0.7836000       2.141800    
 H    3.520100      -1.677000      -1.147800    
 H    4.578700       1.277000       2.696900    
 H    5.874700      -1.176900     -0.5838000    
 H    6.409000      0.2993000       1.337200    


%chk=000093738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093738

0 1
O -1.096241 1.541368 0.504111
O 2.402450 1.708200 -1.899823
O 0.806672 -1.938356 -0.340075
N 0.672147 0.212438 -1.193115
N -2.710146 -0.110693 0.201032
C -0.788503 0.055367 -1.415877
C -1.079079 0.995110 -2.626875
C 0.020657 2.074813 -2.526070
C -1.541391 0.538197 -0.146706
C 1.200284 1.364205 -1.855328
C -3.444659 0.373551 1.397650
C -3.256815 -1.304650 -0.491363
C 1.352110 -0.796984 -0.454464
C -4.522710 1.425950 1.050753
C -2.690300 -2.641734 0.046169
C 2.644948 -0.476624 0.216746
C -5.295879 1.885937 2.304787
C -3.331104 -3.854602 -0.661448
C 2.865341 0.775832 0.845180
C 3.611738 -1.508033 0.335732
C 4.052114 0.994044 1.573849
C 4.808208 -1.277288 1.044265
C 5.029965 -0.024839 1.665429
H -0.994518 -1.000232 -1.638807
H -0.973949 0.425586 -3.567511
H -2.098819 1.411446 -2.586846
H 0.334654 2.498621 -3.492468
H -0.287222 2.904129 -1.863286
H -3.908029 -0.501001 1.893689
H -2.707957 0.816836 2.089792
H -4.355895 -1.287622 -0.357953
H -3.082919 -1.228393 -1.580334
H -5.228937 1.004310 0.307162
H -4.025385 2.290947 0.573625
H -2.878182 -2.697879 1.136401
H -1.591828 -2.655462 -0.083923
H -5.808422 1.036909 2.795936
H -6.062682 2.637597 2.045298
H -4.613816 2.342930 3.045527
H -4.428659 -3.875486 -0.519144
H -2.921800 -4.800760 -0.265799
H -3.132117 -3.835307 -1.749940
H 2.104659 1.559899 0.782276
H 3.408794 -2.479565 -0.126905
H 4.216359 1.957871 2.067281
H 5.561195 -2.069252 1.119335
H 5.956467 0.154168 2.222837


