%chk=000128548.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128548

0 1
 O    1.748800     -0.8934000      0.5984000    
 O   0.4297000      7.2300002E-02   2.249600    
 O  -0.1607000      -2.482100     -0.1537000    
 O   0.4269000       2.538900      0.7475000    
 O   -3.005900      -2.913200      6.1999999E-02
 O   -4.522000     -0.6762000     -0.9759000    
 O    2.848300       2.837700     -0.7741000    
 O    3.463900      0.5193000      -2.335800    
 O   -4.799300       1.890400     -0.8025000    
 O    4.304000      -1.868600      0.1755000    
 N   -1.469400      0.9451000      0.4008000    
 C  -0.5029000     -0.1022000      5.1700000E-02
 C   0.7810000      0.1285000      0.8585000    
 C   -1.084700      -1.500500      0.3179000    
 C    1.412200       1.512700      0.6346000    
 C   -2.419800      -1.696600     -0.4052000    
 C   -2.707100      0.8193000     -0.3750000    
 C   -3.381900     -0.5386000     -0.1273000    
 C    2.080800       1.631900     -0.7331000    
 C    3.024300      0.4566000     -0.9812000    
 C    2.319700     -0.8768000     -0.7120000    
 C   -3.637700       1.975600     -1.9999999E-04
 C    3.285000      -2.057500     -0.7888000    
 C    1.566600      0.2771000       3.068400    
 H  -0.2732000     -2.0300001E-02  -1.017500    
 H   -1.218100      -1.682900       1.391000    
 H    2.190400       1.756600       1.363000    
 H   -2.265700      -1.821600      -1.484100    
 H   -2.488500      0.9136000      -1.448000    
 H   -1.683600      0.8903000       1.396900    
 H   -3.744800     -0.6118000      0.9067000    
 H    1.337400       1.713800      -1.535300    
 H    3.910000      0.5745000     -0.3460000    
 H    1.551100      -1.049100      -1.472200    
 H   -3.156600       2.941700     -0.1884000    
 H   -3.933800       1.929300       1.053700    
 H    3.740900      -2.139000      -1.780200    
 H    2.767400      -2.992800     -0.5525000    
 H  -0.1409000      -2.437000      -1.124700    
 H   0.8852000       3.395800      0.7361000    
 H   -3.864200      -3.011800     -0.3846000    
 H   -5.200500     -5.4499999E-02 -0.6637000    
 H    2.226000       3.584100     -0.7570000    
 H    2.688100      0.4007000      -2.909900    
 H    1.678200       1.337300       3.316300    
 H    2.500000     -0.1380000       2.675900    
 H    1.371000     -0.2314000       4.018500    
 H   -5.376600       2.631600     -0.5520000    
 H    4.903400      -2.631500      0.1127000    


%chk=000128548-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128548

0 1
O 1.770867 -0.853860 0.605271
O 0.301261 0.161008 2.076980
O -0.233715 -2.323784 -0.912245
O 0.543807 2.713395 0.310612
O -2.977351 -2.878075 -0.447000
O -4.734122 -0.684673 -0.725103
O 2.901519 2.744280 -1.265918
O 3.825813 0.203541 -2.333547
O -5.089587 1.882977 -0.064972
O 4.531040 -1.703383 0.524947
N -1.496278 1.003169 0.367089
C -0.515753 -0.018748 -0.142030
C 0.786151 0.214950 0.703976
C -1.075788 -1.459451 -0.071390
C 1.469382 1.577550 0.358563
C -2.501901 -1.502989 -0.644188
C -2.860614 0.934528 -0.223748
C -3.462281 -0.483449 -0.024799
C 2.197012 1.485922 -0.996031
C 3.233405 0.363244 -0.998445
C 2.539035 -0.970130 -0.661341
C -3.706223 2.042541 0.427736
C 3.519784 -2.117689 -0.463279
C 1.324313 0.288839 3.130338
H -0.304176 0.201458 -1.205906
H -1.079422 -1.816795 0.978132
H 2.221654 1.796755 1.139837
H -2.449054 -1.283760 -1.734489
H -2.788999 1.131336 -1.311430
H -1.517632 0.911990 1.399174
H -3.584427 -0.676662 1.066104
H 1.457817 1.306059 -1.808453
H 4.018880 0.580341 -0.248642
H 1.845172 -1.250295 -1.477690
H -3.302218 3.035135 0.150312
H -3.683109 1.936935 1.534088
H 3.987561 -2.332239 -1.445096
H 2.955971 -3.002737 -0.107223
H -0.706578 -3.194712 -0.977560
H -0.402765 2.313228 0.243298
H -3.924071 -2.901846 -0.744028
H -5.281913 0.138311 -0.571578
H 2.255850 3.471562 -1.057600
H 4.151975 1.098499 -2.610191
H 1.609260 1.347786 3.277635
H 2.206768 -0.322327 2.877875
H 0.844426 -0.094149 4.044321
H -5.664791 2.618412 0.254656
H 5.246445 -2.384702 0.557778


