%chk=000044360.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044360

0 1
 O   -3.515500      -2.117500       1.257500    
 O   -3.592900      -2.325200      -1.004600    
 O   -5.511600       1.703300      0.5629000    
 O   -5.555400     -0.2828000     -0.5415000    
 C    1.587500     -4.9199998E-02 -6.2000002E-03
 C   0.8078000       1.138000     -2.7300000E-02
 C    3.009900      8.0000004E-03 -9.9999997E-05
 C   0.9569000      -1.312000      9.3000000E-03
 C  -0.6273000       1.042800     -3.2800000E-02
 C   -1.233900     -0.2377000     -1.7100001E-02
 C    3.670700       1.255200     -1.5100000E-02
 C    3.777200      -1.182200      2.1100000E-02
 C  -0.4386000      -1.388100      3.5000001E-03
 C    1.513000       2.363200     -4.1600000E-02
 C    1.730900      -2.480200      3.0300001E-02
 C    2.909000       2.423000     -3.5799999E-02
 C   -2.634000     -0.3660000     -2.1900000E-02
 C    3.122900      -2.417100      3.6100000E-02
 C   -1.501100       2.159900     -5.2999999E-02
 C    5.072900       1.302500     -8.9999996E-03
 C    5.177800      -1.107000      2.6799999E-02
 C   -3.458300      0.7546000     -4.1900001E-02
 C   -2.891400       2.018900     -5.7500001E-02
 C    5.820600      0.1282000      1.1800000E-02
 C   -3.284700      -1.679200     -5.7000001E-03
 C   -4.912300      0.6467000     -4.8300002E-02
 H  -0.8915000      -2.378700      1.5300000E-02
 H   0.9876000       3.314700     -5.7900000E-02
 H    1.255900      -3.459500      4.2399999E-02
 H    3.389300       3.399300     -4.7699999E-02
 H    3.689000      -3.346100      5.2400000E-02
 H   -1.114200       3.175600     -6.9200002E-02
 H    5.595400       2.256800     -2.0400001E-02
 H    5.781800      -2.011800      4.3099999E-02
 H   -3.495900       2.921700     -8.7899998E-02
 H    6.905700      0.1755000      1.6400000E-02
 H   -3.949900      -2.997000       1.266100    
 H   -6.489300       1.623500      0.5550000    


%chk=000044360-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044360

0 1
O -3.827110 -2.033457 1.351421
O -3.302664 -2.601216 -0.840933
O -5.610134 1.898884 0.151270
O -5.624672 -0.388364 -0.232379
C 1.612392 -0.067741 -0.005893
C 0.818910 1.127348 0.007215
C 3.049599 0.007432 -0.012878
C 0.966706 -1.370042 -0.011889
C -0.630329 1.028321 0.012131
C -1.254101 -0.284184 0.012958
C 3.706481 1.290115 -0.006268
C 3.844261 -1.197854 -0.028716
C -0.432781 -1.453849 -0.005020
C 1.505627 2.397308 0.011766
C 1.792494 -2.563549 -0.032362
C 2.889520 2.476395 0.006378
C -2.692788 -0.384241 0.036077
C 3.168744 -2.482166 -0.039337
C -1.479252 2.180627 0.025300
C 5.130600 1.348851 -0.013217
C 5.257755 -1.096828 -0.035482
C -3.488923 0.776704 0.029990
C -2.865561 2.064880 0.026963
C 5.894078 0.167469 -0.027384
C -3.316523 -1.757281 0.080473
C -4.970388 0.663104 -0.028328
H -0.903649 -2.441497 -0.032009
H 0.929119 3.326052 0.020846
H 1.291374 -3.538013 -0.043007
H 3.384157 3.454625 0.011216
H 3.780527 -3.391564 -0.054374
H -1.040913 3.181730 0.025930
H 5.625346 2.326841 -0.007874
H 5.859366 -2.013082 -0.047755
H -3.504371 2.950913 0.022345
H 6.987814 0.224364 -0.032827
H -4.293923 -2.913324 1.329540
H -6.592791 1.760389 0.083611


