%chk=000062843.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062843

0 1
 O    3.441800      -1.099700       2.140200    
 O    4.461100       2.986100     -0.8656000    
 O    5.133700      0.3397000       2.605100    
 O    3.328700      -4.074700     -0.7675000    
 O    4.107100      -2.500100      -2.203600    
 O    6.853400       2.407600     -0.5772000    
 O   -6.292400       2.429400     -0.6892000    
 N    5.199400      0.8985000     -0.1231000    
 N   -1.243500      0.3534000     -0.1957000    
 N    6.653200       1.251700     -0.1891000    
 N   -4.347600      0.8722000      0.2726000    
 N   -4.981200      -1.797300      0.8693000    
 N   -7.231900      -1.364500      0.1510000    
 N   -7.895400      0.7826000     -0.6395000    
 N   -9.398000      -1.014000     -0.5213000    
 C    4.812000     -0.4191000      0.3132000    
 C    5.842400      -1.492700     -5.7599999E-02
 C    5.312600      -2.930600     -0.1305000    
 C    4.223700       1.841400     -0.4827000    
 C    4.516500     -0.3422000       1.797100    
 C    2.804100       1.454500     -0.4078000    
 C   0.1159000      0.7224000     -0.2665000    
 C   -2.037900      0.5368000      0.9792000    
 C    2.086400       1.659800      0.7704000    
 C    2.177700      0.8831000      -1.515500    
 C   0.7422000       1.293900      0.8412000    
 C   0.8336000      0.5171000      -1.444900    
 C    4.220100      -3.126700      -1.159200    
 C   -3.431200      1.5799999E-02  0.7603000    
 C   -5.581600      0.3594000      9.3000002E-02
 C   -5.915600     -0.9539000      0.3809000    
 C   -3.742000      -1.294000       1.053100    
 C   -6.616500       1.272000     -0.4417000    
 C   -8.150800     -0.4678000     -0.3484000    
 H    3.878500     -0.6891000     -0.1837000    
 H    6.674100      -1.474500      0.6586000    
 H    6.269900      -1.264600      -1.043400    
 H    6.129000      -3.616700     -0.3809000    
 H    4.925700      -3.214900      0.8548000    
 H   -2.107700       1.601700       1.234900    
 H   -1.599500      2.0000000E-02   1.842200    
 H    2.563500       2.108200       1.638100    
 H    2.728300      0.7178000      -2.438000    
 H   -1.656600     -5.1399998E-02  -1.029300    
 H   0.2212000       1.473700       1.776700    
 H   0.3575000      7.2300002E-02  -2.314900    
 H   -3.010700      -1.991700       1.444400    
 H    3.238900      -1.033600       3.097600    
 H   -7.474600      -2.324300      0.3618000    
 H    2.608100      -4.191200      -1.422800    
 H   -9.587400      -1.983600     -0.2924000    
 H   -10.16750     -0.4609000     -0.8827000    


%chk=000062843-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000062843

0 1
O 5.601328 -2.068538 1.966854
O 4.667086 2.311529 1.609481
O 7.240990 -0.558560 1.295177
O 3.762830 -4.734520 -1.320114
O 2.919474 -2.580382 -1.482629
O 5.784293 2.597561 -1.131887
O -4.504300 -1.649810 -2.176690
N 4.955483 0.731718 -0.131335
N -1.547710 0.725477 0.615657
N 5.861127 1.334053 -1.043549
N -4.033387 0.095305 0.063666
N -6.316100 1.005625 1.491497
N -7.691560 -0.197039 -0.003062
N -6.819405 -1.511201 -1.833261
N -9.119197 -1.373057 -1.477284
C 5.104651 -0.730772 0.016337
C 5.561471 -1.410489 -1.308590
C 5.365692 -2.937806 -1.286938
C 4.108542 1.504635 0.822651
C 6.113081 -1.057270 1.134555
C 2.658456 1.265996 0.739502
C -0.181281 0.912231 0.672679
C -2.497478 1.316475 1.542690
C 1.821194 1.874770 1.719919
C 2.043760 0.476395 -0.279966
C 0.432782 1.708270 1.694955
C 0.657980 0.300117 -0.313473
C 3.905134 -3.344491 -1.370792
C -3.909050 0.912971 1.143788
C -5.281975 -0.284722 -0.326157
C -6.414825 0.187004 0.402968
C -5.056295 1.362180 1.854969
C -5.475222 -1.198198 -1.515084
C -7.834835 -1.035608 -1.119648
H 4.124299 -1.136744 0.312997
H 6.617000 -1.162080 -1.504133
H 4.965775 -0.972145 -2.127935
H 5.887430 -3.401214 -2.145727
H 5.799289 -3.407609 -0.384159
H -2.423630 2.426900 1.548293
H -2.306804 0.987842 2.589050
H 2.295672 2.486656 2.494791
H 2.649651 0.002014 -1.057663
H -1.978921 0.145915 -0.118116
H -0.180123 2.191724 2.462417
H 0.205325 -0.311842 -1.101658
H -4.966175 2.018730 2.726745
H 6.266502 -2.281890 2.677521
H -8.481580 0.159712 0.542130
H 2.797595 -4.972144 -1.382929
H -9.948736 -1.044674 -0.989611
H -9.214603 -1.981703 -2.287899


