%chk=000113727.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113727

0 1
 O   -2.428800      -3.029800     -0.4012000    
 O   -3.165700     -0.3424000     -0.7060000    
 O   -8.859100       1.283200      9.7199999E-02
 N   0.8304000      -1.451900      0.3982000    
 N    3.457400     -0.3982000      1.4000000E-02
 C    1.322100      -1.155400     -0.9528000    
 C    1.941400      -1.900500       1.246700    
 C    2.383600     -5.2999999E-02 -0.9225000    
 C    3.022500     -0.8223000       1.350900    
 C  -0.2207000      -2.467600      0.3503000    
 C   -1.443000      -1.993900     -0.4397000    
 C    4.707700      0.2187000     -0.1058000    
 C   -2.062100     -0.7127000      0.1148000    
 C    5.886500     -0.4486000      0.2824000    
 C    4.825200       1.526300     -0.6177000    
 C    7.132600      0.1668000      0.1633000    
 C    7.225000       1.462000     -0.3464000    
 C    6.071400       2.141700     -0.7369000    
 C    8.354200     -0.5797000      0.5889000    
 C    8.547600       2.141900     -0.4828000    
 C   -4.196100      0.3167000     -9.0700001E-02
 C   -5.492600      0.1714000     -0.5722000    
 C   -3.936600       1.125800       1.010300    
 C   -6.542200      0.8432000      5.4600000E-02
 C   -4.986100       1.797500       1.637200    
 C   -6.288800       1.656200       1.159400    
 C   -7.900800      0.6958000     -0.4431000    
 C   -8.185000     -0.1912000      -1.650300    
 H    1.740400      -2.056600      -1.421100    
 H   0.5272000     -0.7841000      -1.606000    
 H    1.577600      -2.117700       2.258300    
 H    2.382600      -2.825700      0.8518000    
 H    2.780200      6.6200003E-02  -1.938500    
 H    1.920900      0.8970000     -0.6251000    
 H    2.636500      4.8200000E-02   1.897100    
 H    3.854200      -1.228900       1.937700    
 H  -0.5470000      -2.714300       1.369900    
 H   0.1472000      -3.410500     -7.7600002E-02
 H   -1.214400      -1.870600      -1.502700    
 H   -2.387200     -0.9218000       1.142700    
 H   -1.337900      0.1088000      0.1140000    
 H    5.822100      -1.464300      0.6684000    
 H    3.947400       2.091900     -0.9201000    
 H    6.125300       3.152300      -1.133200    
 H   -3.206600      -2.711200     -0.8906000    
 H    8.109300      -1.578300      0.9672000    
 H    8.870200     -4.7699999E-02   1.394600    
 H    9.038000     -0.7136000     -0.2557000    
 H    9.030400       2.245700      0.4943000    
 H    8.444800       3.149400     -0.9009000    
 H    9.203100       1.579300      -1.155400    
 H   -5.650000     -0.4704000      -1.433700    
 H   -2.934400       1.287100       1.395500    
 H   -4.788200       2.436200       2.493200    
 H   -7.089300       2.191000       1.663800    
 H   -9.258100     -0.1691000      -1.865700    
 H   -7.656700      0.1861000      -2.529700    
 H   -7.905800      -1.225600      -1.433800    


%chk=000113727-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113727

0 1
O -2.394965 -3.658198 -0.479554
O -3.408971 -1.032338 -0.288240
O -8.418582 2.369255 0.013537
N 0.849054 -1.872212 0.067409
N 3.432474 -0.575473 -0.199237
C 1.408139 -1.532401 -1.266389
C 1.961169 -2.183687 1.001197
C 2.360255 -0.325839 -1.178578
C 2.904590 -0.976899 1.125226
C -0.160100 -2.958152 0.013935
C -1.521047 -2.477852 -0.519826
C 4.624956 0.199206 -0.270603
C -2.101355 -1.344584 0.329868
C 5.743172 -0.109003 0.560285
C 4.772483 1.272928 -1.193398
C 6.956816 0.607442 0.489015
C 7.096955 1.678747 -0.447886
C 5.990675 1.981488 -1.273063
C 8.114767 0.223108 1.394559
C 8.390284 2.466501 -0.557522
C -4.202326 -0.034404 0.300263
C -5.443889 0.206311 -0.333489
C -3.827306 0.707758 1.446817
C -6.322414 1.191587 0.175965
C -4.712082 1.691937 1.950630
C -5.948928 1.938106 1.329173
C -7.654232 1.481396 -0.465964
C -8.067608 0.688569 -1.701511
H 1.965602 -2.402143 -1.697279
H 0.584255 -1.281178 -1.958459
H 1.536208 -2.415027 1.995376
H 2.548952 -3.071601 0.657039
H 2.810107 -0.171536 -2.174758
H 1.770397 0.585996 -0.919615
H 2.342673 -0.132125 1.588558
H 3.735832 -1.236825 1.798670
H -0.318886 -3.344421 1.038247
H 0.167969 -3.822370 -0.611786
H -1.433026 -2.114596 -1.566117
H -2.255274 -1.683541 1.374322
H -1.434388 -0.462710 0.311825
H 5.682799 -0.949985 1.260204
H 3.942284 1.579473 -1.836065
H 6.074967 2.805676 -1.992588
H -3.312329 -3.353914 -0.704129
H 7.844080 -0.611147 2.064240
H 8.435045 1.074295 2.026120
H 9.001937 -0.087361 0.809122
H 8.663972 2.946562 0.402527
H 8.306105 3.262117 -1.317830
H 9.243835 1.820071 -0.841976
H -5.694282 -0.386293 -1.218550
H -2.868707 0.533643 1.943760
H -4.421191 2.265270 2.837533
H -6.644168 2.694155 1.706133
H -9.058031 1.033330 -2.034490
H -7.340518 0.825735 -2.523511
H -8.116403 -0.394048 -1.480339


