%chk=000005855.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005855

0 1
 O    5.193800      -1.170400     -0.3004000    
 O   -4.828300     -0.6589000      -1.235900    
 C  -0.1778000     -0.3117000     -2.7200000E-02
 C   0.7105000      0.9679000     -0.1961000    
 C   -1.616500     -5.0400000E-02 -0.5480000    
 C    2.093600      0.6676000      0.3961000    
 C    2.795700     -0.5306000     -0.2850000    
 C   -2.178000       1.136600      0.2630000    
 C   0.4896000      -1.578600     -0.6064000    
 C    1.921700      -1.782500     -7.5499997E-02
 C    4.176400     -0.5010000      0.4413000    
 C   6.0699999E-02   2.212700      0.4499000    
 C    3.152000       1.764200      0.3702000    
 C   -2.657000      -1.133000     -0.1855000    
 C   -1.403200       2.423100      3.2400001E-02
 C    4.486300       1.017000      0.5530000    
 C   -3.668800       1.129800     -4.9600001E-02
 C   -4.013900     -0.3780000     -0.1062000    
 C   -1.625300      0.1746000      -2.082200    
 C    3.005100     -0.3302000      -1.815500    
 C    4.196400      -1.151500       1.830600    
 C   -4.754400     -0.7902000       1.097800    
 C   -5.358600      -1.126300       2.079100    
 H  -0.2572000     -0.4946000       1.056400    
 H   0.8317000       1.198400      -1.258600    
 H    1.925000      0.4264000       1.456500    
 H   -2.089200      0.9057000       1.337500    
 H   0.5085000      -1.543000      -1.699600    
 H  -0.1065000      -2.460200     -0.3416000    
 H    1.844200      -2.025300      0.9908000    
 H    2.374800      -2.654400     -0.5619000    
 H   0.6350000       3.110400      0.1926000    
 H   0.1030000       2.117100       1.542800    
 H    2.997500       2.499400       1.166700    
 H    3.146500       2.305600     -0.5825000    
 H   -2.396700      -1.578400      0.7841000    
 H   -2.678500      -1.944100     -0.9224000    
 H   -1.837300       3.236400      0.6253000    
 H   -1.454300       2.735100      -1.016400    
 H    5.203600       1.336800     -0.2121000    
 H    4.931700       1.267700       1.522700    
 H   -4.230100       1.672200      0.7203000    
 H   -3.879400       1.627100      -1.003500    
 H   -1.405200     -0.7569000      -2.614800    
 H   -2.588700      0.5283000      -2.455800    
 H  -0.8920000      0.9160000      -2.407800    
 H    2.073800     -0.1601000      -2.360900    
 H    3.660200      0.5180000      -2.038500    
 H    3.470500      -1.219000      -2.257700    
 H    5.188500      -1.044400       2.286200    
 H    3.466000     -0.7160000       2.517800    
 H    4.016000      -2.230300       1.765900    
 H    4.913500      -2.093500     -0.4229000    
 H   -4.307800     -0.5151000      -2.042000    
 H   -5.894400      -1.424400       2.949800    


%chk=000005855-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005855

0 1
O 5.315114 -1.112434 -0.323025
O -4.915982 -0.729860 -1.235252
C -0.176119 -0.296578 -0.056179
C 0.711853 0.986293 -0.226448
C -1.634319 -0.041271 -0.549511
C 2.104815 0.684410 0.368186
C 2.815979 -0.540117 -0.296015
C -2.198541 1.183832 0.246768
C 0.496300 -1.556431 -0.665855
C 1.924436 -1.793922 -0.101132
C 4.207099 -0.514208 0.464536
C 0.066949 2.238962 0.428213
C 3.190758 1.790769 0.360756
C -2.664942 -1.128587 -0.130515
C -1.404795 2.474241 -0.006289
C 4.531395 1.013090 0.575101
C -3.718719 1.145766 -0.007454
C -4.066444 -0.396747 -0.059950
C -1.681455 0.173613 -2.089525
C 3.086263 -0.318468 -1.810372
C 4.184614 -1.204220 1.846092
C -4.847104 -0.830212 1.112661
C -5.466684 -1.178756 2.118578
H -0.249773 -0.474895 1.043848
H 0.833877 1.200321 -1.308700
H 1.925704 0.410727 1.433591
H -2.052841 0.930116 1.321938
H 0.544763 -1.467507 -1.767568
H -0.131601 -2.443806 -0.450889
H 1.836585 -2.028580 0.978626
H 2.374820 -2.682316 -0.591562
H 0.680791 3.130109 0.194704
H 0.093485 2.117010 1.532792
H 3.021467 2.549738 1.144940
H 3.191872 2.324163 -0.609125
H -2.402921 -1.518463 0.870518
H -2.735456 -1.991118 -0.816941
H -1.834789 3.319923 0.565535
H -1.451675 2.758175 -1.076923
H 5.284123 1.262721 -0.192040
H 4.982134 1.240189 1.557644
H -4.296506 1.664424 0.775148
H -3.992306 1.606762 -0.975244
H -1.534994 -0.784212 -2.621243
H -2.648266 0.597102 -2.422018
H -0.901694 0.870864 -2.440695
H 2.155078 -0.144500 -2.375742
H 3.758952 0.537070 -1.987981
H 3.583978 -1.205102 -2.240520
H 5.171472 -1.081596 2.326751
H 3.421084 -0.770287 2.516520
H 3.978096 -2.288399 1.758485
H 5.201701 -2.097911 -0.327370
H -4.375551 -0.562146 -2.050247
H -6.019377 -1.486636 2.986700


