%chk=000115158.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115158

0 1
 O    1.489400     -0.5964000     -0.5788000    
 O    2.169500      0.7045000       1.234900    
 O    2.149500      -4.074700       1.502500    
 O    1.894500      -4.148000      -1.375900    
 O    3.430900      -1.564500       2.361200    
 O   0.9142000     -0.4904000      -3.264700    
 O   -1.007500       1.519700      0.2902000    
 O   -2.496900      0.7687000      -1.528300    
 O   -5.074900       1.247100     -0.8301000    
 O   -2.633500       1.264400       1.911300    
 C    2.504200      -2.987500      0.6467000    
 C    1.575300      -3.018800     -0.5671000    
 C    2.369300      -1.671600       1.413000    
 C    1.725000      -1.742500      -1.398600    
 C    2.445100     -0.4696000      0.4716000    
 C   0.7251000      -1.697900      -2.549700    
 C    2.185300       1.892800      0.5576000    
 C    1.048400       2.695000      0.5083000    
 C   -2.926600      0.2891000     -0.2706000    
 C    3.355800       2.290400     -8.3099999E-02
 C   -5.134900     -0.4780000      0.8303000    
 C  -0.2132000       2.280700       1.190800    
 C   -4.444800      0.4173000     -0.1753000    
 C   -4.761500      -1.935800      0.5858000    
 C   -2.498000      -1.139200     -0.1241000    
 C    1.082500       3.903900     -0.1867000    
 C   -2.201300       1.070300      0.7833000    
 C   -3.313800      -2.134400      0.2534000    
 C    3.389700       3.499300     -0.7780000    
 C    2.253200       4.306000     -0.8298000    
 H    3.544500      -3.160200      0.3468000    
 H   0.5394000      -3.136600     -0.2235000    
 H    1.430100      -1.658300       1.980000    
 H    2.735200      -1.667200      -1.823600    
 H    3.457400     -0.4019000      5.2000001E-02
 H  -0.3094000      -1.721400      -2.201000    
 H   0.8747000      -2.525100      -3.248800    
 H    1.233900      -3.939200       1.800500    
 H    1.157500      -4.289900      -1.993200    
 H    3.327400     -0.7127000       2.819100    
 H   0.7808000      0.2441000      -2.641100    
 H   -6.219500     -0.3505000      0.7476000    
 H   -4.843000     -0.1616000       1.837200    
 H    4.257600       1.687000     -3.8300000E-02
 H  -0.7729000       3.167700       1.514500    
 H   4.4000000E-03   1.691000       2.089900    
 H   -5.359100      -2.338000     -0.2413000    
 H   -5.014000      -2.521500       1.476900    
 H   -1.457800      -1.379900     -0.3209000    
 H   0.2035000       4.541200     -0.2373000    
 H   -2.918400      -3.143800      0.3211000    
 H    4.302400       3.814700      -1.275200    
 H    2.279900       5.247500      -1.370600    
 H   -2.751500       1.704900      -1.598600    


%chk=000115158-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115158

0 1
O 1.068756 -1.181530 -0.326173
O 1.878608 0.529998 1.063523
O 4.127505 -3.806722 0.863433
O 2.594565 -4.391548 -1.489535
O 4.363063 -0.969579 1.469443
O -0.550120 -1.891514 -2.768409
O -1.249554 1.582054 0.476874
O -2.044798 0.121043 -1.636587
O -4.045588 1.885497 -1.454898
O -2.149649 0.017800 1.963820
C 3.468491 -2.735314 0.108530
C 2.215425 -3.358307 -0.525746
C 3.096702 -1.548590 1.001324
C 1.405707 -2.280915 -1.282502
C 2.281966 -0.538431 0.172190
C 0.084380 -2.811413 -1.848157
C 1.959676 1.874145 0.614156
C 0.856293 2.715821 0.911360
C -2.853991 0.027819 -0.432888
C 3.124356 2.379818 -0.004402
C -5.217343 0.722416 0.374028
C -0.374929 2.155541 1.568056
C -4.071994 0.991730 -0.570453
C -5.751046 -0.726528 0.152389
C -3.337663 -1.402859 -0.268660
C 0.946625 4.084807 0.563848
C -2.041985 0.502296 0.817028
C -4.629014 -1.730224 -0.020633
C 3.183757 3.746908 -0.355317
C 2.096238 4.604173 -0.070928
H 4.141945 -2.372144 -0.699552
H 1.592567 -3.789254 0.288623
H 2.467480 -1.883727 1.850935
H 2.015308 -1.870594 -2.116038
H 2.881310 -0.143683 -0.678058
H -0.575174 -3.088287 -0.993407
H 0.310263 -3.725184 -2.422782
H 4.917738 -3.418051 1.318290
H 3.235131 -4.995453 -1.030718
H 4.157781 -0.284448 2.154952
H -0.989167 -1.130680 -2.281932
H -6.009600 1.474619 0.228322
H -4.840019 0.790581 1.413156
H 3.982397 1.724300 -0.187549
H -0.969265 2.941796 2.064716
H -0.152919 1.343010 2.277757
H -6.405319 -0.748923 -0.742711
H -6.389693 -1.013440 1.009075
H -2.568678 -2.174345 -0.382870
H 0.098576 4.743902 0.784047
H -4.898837 -2.791277 0.059345
H 4.085132 4.141682 -0.836429
H 2.146190 5.664607 -0.337525
H -2.184482 1.026803 -2.032059


