%chk=000051148.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051148

0 1
 O   -1.216500     -0.7339000     -0.3415000    
 O   -2.663400      -3.087600     -0.7724000    
 C   -1.044800      0.5304000      0.3061000    
 C   -1.095800       1.624900     -0.7709000    
 C   -2.170000      0.7225000       1.335900    
 C   0.3219000      0.5207000      0.9933000    
 C   -2.475500       1.734200      -1.422800    
 C   -3.545700      0.8321000      0.6768000    
 C   -3.574800       1.928000     -0.3835000    
 C    1.451600      0.2905000     -1.0300000E-02
 C    2.819300      0.3148000      0.6760000    
 C   -1.180300      -1.798100      0.5945000    
 C    3.950600      0.1223000     -0.3364000    
 C    5.343500      0.1624000      0.2958000    
 C   -1.390300      -3.109100     -0.1384000    
 C    6.470200     -5.4099999E-02 -0.7024000    
 H  -0.3988000       1.414200      -1.588600    
 H  -0.8244000       2.596600     -0.3397000    
 H   -2.193600     -2.0600000E-02   2.136300    
 H   -1.985900       1.671400       1.861400    
 H   0.4802000       1.503100       1.461100    
 H   0.3928000     -0.1859000       1.825800    
 H   -2.483200       2.574500      -2.126500    
 H   -2.681700      0.8295000      -2.007900    
 H   -3.820200     -0.1280000      0.2239000    
 H   -4.300100       1.048400       1.442000    
 H   -4.552700       1.936500     -0.8781000    
 H   -3.452500       2.905900      9.8399997E-02
 H    1.463700       1.072900     -0.7748000    
 H    1.326900     -0.6691000     -0.5245000    
 H    2.866700     -0.4767000       1.433600    
 H    2.955100       1.270500       1.196500    
 H   -1.986800      -1.738000       1.326300    
 H  -0.2167000      -1.892000       1.097800    
 H    3.886900      0.9018000      -1.105900    
 H    3.816900     -0.8389000     -0.8483000    
 H    5.489500       1.129800      0.7909000    
 H    5.410200     -0.6063000       1.075000    
 H  -0.6377000      -3.241300     -0.9217000    
 H   -1.348100      -3.964000      0.5432000    
 H    6.378300      -1.030300      -1.188800    
 H    6.458100      0.7185000      -1.477600    
 H    7.439800     -1.4900000E-02 -0.1964000    
 H   -3.336600      -2.990600     -7.7399999E-02


%chk=000051148-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051148

0 1
O -1.212314 -0.709911 -0.414419
O -3.214344 -2.980598 -0.245339
C -1.033915 0.614080 0.262056
C -1.238374 1.624457 -0.894387
C -2.131629 0.821462 1.344095
C 0.379104 0.720377 0.896334
C -2.673463 1.587750 -1.470967
C -3.559680 0.748237 0.758024
C -3.740313 1.790972 -0.370137
C 1.560790 0.507850 -0.076336
C 2.914282 0.379903 0.658138
C -1.024472 -1.911277 0.391227
C 4.115435 0.196013 -0.296590
C 5.465963 0.050266 0.441422
C -1.748797 -3.067523 -0.307494
C 6.662355 -0.130812 -0.517806
H -0.509237 1.403293 -1.694748
H -1.010698 2.639333 -0.508072
H -2.006651 0.086088 2.164719
H -1.969810 1.819396 1.801507
H 0.468744 1.715898 1.377283
H 0.455655 -0.021240 1.720178
H -2.776466 2.362301 -2.256052
H -2.833739 0.604666 -1.951503
H -3.731106 -0.263406 0.339817
H -4.304842 0.912305 1.561143
H -4.755337 1.712232 -0.805051
H -3.648436 2.813243 0.055148
H 1.617022 1.351532 -0.792414
H 1.374024 -0.400639 -0.683146
H 2.871166 -0.480456 1.359630
H 3.080837 1.281132 1.285585
H -1.420416 -1.788529 1.424288
H 0.058307 -2.159306 0.473883
H 4.169511 1.060997 -0.990402
H 3.946545 -0.699388 -0.930941
H 5.631849 0.944779 1.076260
H 5.410884 -0.815148 1.133418
H -1.514339 -3.049948 -1.384041
H -1.392888 -4.029489 0.123961
H 6.535527 -1.034700 -1.143323
H 6.758596 0.736013 -1.198667
H 7.614357 -0.233550 0.035083
H -3.493586 -2.931651 0.704434


