%chk=000116812.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116812

0 1
 O    1.496000      -1.344600       1.968900    
 O    2.746100     -0.7367000      -1.178600    
 O   -1.412200       3.154400      -1.766400    
 O    4.629600      -2.000600      -1.616800    
 N   2.7300000E-02  -1.152400     -0.4167000    
 N  -0.2653000       3.623800      0.2393000    
 C  -0.7442000      -2.247000      0.1312000    
 C   0.4835000      -1.246700      -1.802800    
 C   0.3258000     -1.7899999E-02  0.3478000    
 C   -2.205600      -1.957500      6.1299998E-02
 C    1.934000      -1.696400      -1.843300    
 C    1.056600     -0.1309000       1.530600    
 C  -0.1146000       1.233600     -8.2900003E-02
 C   0.1759000       2.372000      0.6691000    
 C    1.346900       1.007400       2.282700    
 C   0.9066000       2.258700       1.852000    
 C   -2.938400      -2.334500      -1.064300    
 C   -2.839700      -1.309300       1.121300    
 C   -4.305200      -2.063400      -1.129500    
 C   -4.206500      -1.038300       1.056000    
 C   -4.939100      -1.415300     -6.9399998E-02
 C    2.235200      -1.363700       3.188000    
 C   -1.004500       3.932800     -0.9104000    
 C    4.084200      -1.015200      -1.138600    
 C   -1.282600       5.411300      -1.015700    
 C    4.810400      7.6399997E-02 -0.4126000    
 H  -0.5283000      -3.176600     -0.4130000    
 H  -0.4706000      -2.479000       1.166700    
 H  -0.1293000      -1.960800      -2.364700    
 H   0.3805000     -0.2820000      -2.312800    
 H    2.042800      -2.669400      -1.349100    
 H    2.257900      -1.788000      -2.886400    
 H  -0.6942000       1.261900     -0.9948000    
 H    1.908800      0.9980000       3.210000    
 H    1.139500       3.138200       2.447200    
 H   -2.458700      -2.841500      -1.897000    
 H   -2.281600      -1.011000       2.004800    
 H  -1.3400000E-02   4.403800      0.8429000    
 H   -4.875900      -2.357100      -2.005600    
 H   -4.700100     -0.5338000       1.881400    
 H   -6.003200      -1.204300     -0.1203000    
 H    3.174100     -0.8064000       3.099900    
 H    1.627000      -1.028600       4.035000    
 H    2.503900      -2.407000       3.384300    
 H  -0.3401000       5.965800      -1.036500    
 H   -1.879700       5.736600     -0.1593000    
 H   -1.836400       5.619800      -1.935300    
 H    4.646700       1.031000     -0.9190000    
 H    5.882800     -0.1381000     -0.4131000    
 H    4.463900      0.1257000      0.6227000    


%chk=000116812-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116812

0 1
O 1.550213 -0.855753 2.360159
O 2.512725 -1.188665 -2.303590
O -1.175543 3.923600 -1.333090
O 2.505849 -3.273901 -1.242711
N 0.412334 -0.527570 -0.184178
N -0.431819 4.246116 0.873512
C -0.105212 -1.860306 0.237686
C 0.336217 -0.217928 -1.623659
C 0.439753 0.553607 0.731317
C -1.553528 -2.121052 -0.184816
C 1.040371 -1.249415 -2.517674
C 1.013110 0.410709 2.044766
C -0.044207 1.836784 0.355284
C 0.036938 2.944477 1.234268
C 1.057309 1.511460 2.925143
C 0.579952 2.779091 2.529582
C -1.894511 -3.329772 -0.842127
C -2.581530 -1.178205 0.081038
C -3.232073 -3.601637 -1.213677
C -3.916852 -1.443422 -0.293601
C -4.248442 -2.658036 -0.940777
C 2.187958 -1.014819 3.667108
C -0.987614 4.676906 -0.328960
C 3.112044 -2.235111 -1.595848
C -1.367624 6.157476 -0.360975
C 4.565654 -1.918776 -1.323130
H 0.549292 -2.653693 -0.165404
H -0.012563 -1.914960 1.333102
H -0.714908 -0.135864 -1.985803
H 0.818413 0.759302 -1.794038
H 0.692026 -2.282293 -2.351341
H 0.890965 -0.971383 -3.574346
H -0.508948 1.992768 -0.618767
H 1.493333 1.400475 3.922158
H 0.639793 3.625157 3.225000
H -1.106937 -4.063303 -1.058083
H -2.332496 -0.234939 0.581816
H -0.339397 4.953457 1.605372
H -3.478276 -4.543165 -1.718202
H -4.698993 -0.705161 -0.081803
H -5.285121 -2.863552 -1.230943
H 3.043308 -0.320625 3.783991
H 1.467009 -0.856151 4.493122
H 2.547930 -2.054188 3.683971
H -1.150273 6.699357 0.576409
H -2.445681 6.246008 -0.580423
H -0.825337 6.647646 -1.187922
H 5.012417 -1.364494 -2.163336
H 5.120160 -2.849864 -1.133559
H 4.629411 -1.279193 -0.423822


