%chk=000121091.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121091

0 1
 O    4.771600      -1.902000      0.6329000    
 O   -6.422700       1.314100      0.7446000    
 O   -7.196100      -1.145200     -0.2933000    
 N   0.3899000      0.6230000      0.2339000    
 N    3.226200      0.3751000      2.3000001E-03
 C    1.197800      0.2284000       1.394600    
 C   0.9918000      9.4400004E-02 -0.9962000    
 C    2.623900      0.7721000       1.281200    
 C    2.411800      0.6325000      -1.189300    
 C  -0.9844000      0.1447000      0.3793000    
 C   -1.850400      0.5897000     -0.8020000    
 C    4.622000      0.3798000     -9.6699998E-02
 C   -3.272500      0.1313000     -0.6652000    
 C    5.390100     -0.7600000      0.2192000    
 C    5.304300       1.538400     -0.5204000    
 C   -4.197700      0.9422000     -1.7500000E-02
 C   -3.651900      -1.100500      -1.186700    
 C    6.781100     -0.7413000      0.1155000    
 C    6.695200       1.557000     -0.6239000    
 C    7.433600      0.4173000     -0.3059000    
 C   -5.519700      0.5158000      0.1102000    
 C   -4.973600      -1.526900      -1.059000    
 C   -5.907600     -0.7187000     -0.4107000    
 C    5.606900      -3.017200      0.9361000    
 C   -5.945300       2.560100       1.248200    
 C   -7.524100      -1.904300      0.8687000    
 H    1.229600     -0.8653000       1.491700    
 H   0.7528000      0.6251000       2.315300    
 H   0.4514000      0.4073000      -1.892900    
 H    1.010800      -1.003600     -0.9823000    
 H    3.213800      0.3843000       2.121000    
 H    2.620500       1.866800       1.359000    
 H    2.381400       1.711000      -1.390600    
 H    2.857200      0.1440000      -2.064900    
 H   -1.414400      0.5531000       1.303400    
 H   -1.012900     -0.9494000      0.4744000    
 H   -1.494300      0.1924000      -1.757700    
 H   -1.822100       1.682900     -0.9036000    
 H    4.748600       2.440100     -0.7685000    
 H   -3.836200       1.889200      0.3685000    
 H   -2.932700      -1.739800      -1.691400    
 H    7.420900      -1.586400      0.3448000    
 H    7.203500       2.459400     -0.9508000    
 H    8.516700      0.4332000     -0.3866000    
 H   -5.268900      -2.489700      -1.467100    
 H    6.271900      -2.806600       1.780500    
 H    4.949500      -3.835700       1.247600    
 H    6.150800      -3.367300      5.2099999E-02
 H   -6.795500       3.063300       1.720500    
 H   -5.188600       2.417600       2.027100    
 H   -5.597200       3.214900      0.4421000    
 H   -6.939700      -2.829300      0.8997000    
 H   -7.347300      -1.317300       1.775500    
 H   -8.585500      -2.162600      0.8209000    


%chk=000121091-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121091

0 1
O 4.891365 -1.365800 1.480953
O -6.369312 0.819057 1.400152
O -7.398344 -0.991945 -0.539259
N 0.435935 0.386209 -0.095707
N 3.330207 0.189697 -0.245544
C 1.227360 -0.197504 1.018733
C 1.129415 0.126948 -1.380662
C 2.640179 0.403457 1.053212
C 2.548733 0.725057 -1.377850
C -0.969142 -0.088134 -0.088843
C -1.910958 0.793064 -0.953120
C 4.745541 0.262845 -0.304945
C -3.360705 0.345314 -0.841424
C 5.572922 -0.529489 0.568657
C 5.414883 1.065141 -1.271534
C -4.166804 0.797272 0.235580
C -3.926010 -0.552788 -1.776641
C 6.980000 -0.480383 0.476585
C 6.823676 1.093787 -1.377721
C 7.612958 0.328033 -0.498168
C -5.505661 0.368026 0.383083
C -5.256782 -1.001464 -1.626249
C -6.058882 -0.560253 -0.553970
C 5.696322 -2.261045 2.311697
C -5.854516 1.830750 2.324778
C -7.916289 -1.576148 0.714584
H 1.313147 -1.309536 0.924221
H 0.714339 0.029266 1.972273
H 0.558228 0.588270 -2.206016
H 1.204200 -0.972638 -1.583505
H 3.225774 -0.073424 1.851875
H 2.560637 1.495319 1.262890
H 2.469271 1.837552 -1.334098
H 3.048454 0.449571 -2.323631
H -1.329216 -0.056602 0.957468
H -1.054145 -1.153473 -0.425689
H -1.593944 0.751767 -2.011815
H -1.789175 1.839908 -0.617016
H 4.822484 1.694796 -1.941789
H -3.737651 1.508743 0.949784
H -3.326366 -0.906436 -2.623249
H 7.595357 -1.087132 1.147889
H 7.295249 1.726648 -2.137472
H 8.705895 0.348676 -0.562258
H -5.709219 -1.696438 -2.340797
H 6.358549 -1.695928 2.996882
H 4.967123 -2.841183 2.897042
H 6.305646 -2.945912 1.690302
H -6.692850 2.054549 3.001026
H -4.996153 1.446085 2.909595
H -5.553952 2.749948 1.785797
H -7.318325 -2.462948 1.003253
H -7.908337 -0.834743 1.529979
H -8.946811 -1.883011 0.478281


