%chk=000123987.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123987

0 1
 O   -4.651500     -0.6498000     -0.7901000    
 O   0.1481000      -1.700500      -2.262800    
 O    5.750900       1.789500      0.1047000    
 C   -2.215600     -0.7050000     -0.3943000    
 C   -1.408400     -0.4181000      0.8954000    
 C   2.7500000E-02 -0.9596000      0.8265000    
 C   0.7575000     -0.2196000     -0.3517000    
 C   -3.605000     -0.1178000      1.2000000E-02
 C   -1.498500     -3.4600001E-02  -1.588800    
 C   -2.341900     -0.9005000       2.004700    
 C   6.0000003E-04 -0.4078000      -1.697500    
 C   -3.760100     -0.5794000       1.486500    
 C    2.301300     -0.5270000     -0.3357000    
 C   -2.404000      -2.223700     -0.6942000    
 C   0.7761000     -0.7974000       2.127000    
 C    2.833500     -4.0500000E-02   1.024000    
 C    2.647000      -2.029300     -0.4752000    
 C    2.044800     -0.3719000       2.200200    
 C    3.021400      0.1650000      -1.481900    
 C   -3.669400       1.355400     -6.5499999E-02
 C    3.943600      0.7021000       1.161400    
 C    4.112300      0.9268000      -1.351600    
 C    4.695300       1.177800     -1.9600000E-02
 C   -3.721200       2.553500     -0.1285000    
 C   -3.784300       4.012400     -0.2051000    
 H   -1.321200      0.6725000       1.028000    
 H  -3.4000000E-03  -2.035900      0.6270000    
 H   0.6686000      0.8616000     -0.1427000    
 H   -1.542400       1.056000      -1.489400    
 H   -2.019200     -0.2862000      -2.520800    
 H   -2.146800     -0.3899000       2.953400    
 H   -2.235100      -1.976800       2.180600    
 H   0.4321000      0.2848000      -2.429800    
 H   -4.394500      -1.470500       1.564500    
 H   -4.227700      0.1898000       2.113100    
 H   -3.002400      -2.736700      6.5099999E-02
 H   -2.913300      -2.367500      -1.654300    
 H   -1.457600      -2.764500     -0.7548000    
 H   0.2643000      -1.053100       3.050600    
 H    2.158200      -2.650100      0.2820000    
 H    2.365300      -2.426500      -1.455700    
 H    3.726900      -2.198600     -0.3679000    
 H    2.501800     -0.2463000       3.178100    
 H    2.664100     -2.1400001E-02  -2.491800    
 H   -4.460800     -0.4281000      -1.717800    
 H  -0.3236000      -1.709700      -3.112900    
 H    4.307200       1.028300       2.131000    
 H    4.606300       1.357100      -2.215000    
 H   -2.956300       4.406400     -0.8022000    
 H   -4.721100       4.337800     -0.6672000    
 H   -3.725100       4.457300      0.7927000    


%chk=000123987-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123987

0 1
O -4.724393 -0.677126 -0.848180
O 0.308285 -1.671065 -2.257868
O 5.850045 1.854356 -0.022586
C -2.190386 -0.718999 -0.431954
C -1.417291 -0.449318 0.895957
C 0.039886 -0.965568 0.830629
C 0.769900 -0.209732 -0.323138
C -3.611935 -0.133781 -0.027667
C -1.465859 0.003056 -1.589917
C -2.375901 -0.966610 2.002219
C 0.051511 -0.325430 -1.689857
C -3.805545 -0.683539 1.431542
C 2.319699 -0.522380 -0.313531
C -2.357627 -2.229656 -0.741544
C 0.784085 -0.773617 2.137036
C 2.855557 0.018060 1.015597
C 2.623886 -2.068626 -0.353365
C 2.065339 -0.298949 2.210030
C 3.036843 0.068663 -1.510106
C -3.653602 1.343383 -0.070708
C 4.020320 0.747970 1.091338
C 4.169232 0.823010 -1.417318
C 4.764454 1.183626 -0.104847
C -3.736099 2.575192 -0.118940
C -3.838292 4.041845 -0.154298
H -1.357116 0.655680 1.012218
H 0.009603 -2.051440 0.596956
H 0.690385 0.872170 -0.073380
H -1.558704 1.098166 -1.446264
H -1.945632 -0.229171 -2.565474
H -2.208673 -0.450057 2.963066
H -2.226558 -2.048420 2.179491
H 0.501094 0.423880 -2.377738
H -4.411448 -1.602880 1.358247
H -4.368194 0.035867 2.048016
H -2.839914 -2.773818 0.087800
H -3.008942 -2.357163 -1.623781
H -1.383260 -2.696938 -0.954564
H 0.241041 -1.010855 3.061591
H 2.206601 -2.575764 0.533351
H 2.185081 -2.512828 -1.259645
H 3.716391 -2.226822 -0.351767
H 2.530135 -0.118343 3.188098
H 2.651519 -0.233614 -2.492831
H -4.887979 -0.057160 -1.604125
H -0.286246 -1.798044 -3.040125
H 4.416062 1.082358 2.059046
H 4.703006 1.179836 -2.306056
H -3.027505 4.490527 -0.757109
H -4.801308 4.361267 -0.593504
H -3.777255 4.468599 0.863660


