%chk=000107608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107608

0 1
 O   -3.422600     -0.1586000      -1.746900    
 O   -5.094400     -0.6994000       1.206900    
 O    6.733400     -5.5900000E-02 -0.3493000    
 C   -1.990400     -0.4398000      0.2162000    
 C   -1.203800      0.8409000     -0.1381000    
 C   0.2506000      0.8213000      0.3490000    
 C   0.9882000     -0.4116000     -0.2480000    
 C   -3.389700     -3.8400002E-02 -0.3290000    
 C   -2.109600       1.976100      0.3369000    
 C   -1.290800      -1.611800     -0.4943000    
 C    2.482600     -0.4955000      0.2621000    
 C   -3.551300       1.440700      0.1322000    
 C   0.1857000      -1.729700     -7.8500003E-02
 C   0.9759000       2.114900     -5.3199999E-02
 C   -2.055000     -0.7152000       1.743900    
 C    3.154100      0.8840000      0.2135000    
 C    3.261500      -1.474300     -0.6669000    
 C    2.464100       2.027300      5.8200002E-02
 C   -4.502000     -0.9235000      0.1524000    
 C    2.551500      -1.009700       1.720300    
 C   -4.352400       2.332500     -0.8116000    
 C    4.659500      0.9234000      0.3405000    
 C    4.777000      -1.455900     -0.4727000    
 C    5.336300     -4.5000002E-02 -0.6243000    
 C   -4.858500      -2.096900     -0.7194000    
 H   -1.160200      0.9265000      -1.236500    
 H   0.2641000      0.7615000       1.443100    
 H    1.031700     -0.2363000      -1.335500    
 H   -1.938800       2.196900       1.397100    
 H   -1.918900       2.898300     -0.2224000    
 H   -1.298500      -1.487900      -1.582700    
 H   -1.799100      -2.557200     -0.2763000    
 H   -4.047100       1.488700       1.110200    
 H   0.2263000      -2.077400      0.9574000    
 H   0.6441000      -2.520900     -0.6827000    
 H   0.6241000       2.935100      0.5841000    
 H   0.7316000       2.389900      -1.086900    
 H   -2.583200      6.8899997E-02   2.294600    
 H   -2.572800      -1.660400       1.943400    
 H   -1.066000     -0.8006000       2.201500    
 H    3.054700      -1.226100      -1.716900    
 H    2.910300      -2.502400     -0.5185000    
 H    2.997800       2.973500      9.6000005E-03
 H    1.928100     -0.4111000       2.392400    
 H    2.225000      -2.051700       1.797700    
 H    3.568800     -0.9804000       2.124700    
 H   -3.868100       2.423700      -1.789400    
 H   -5.358600       1.928800     -0.9633000    
 H   -4.453000       3.340300     -0.3948000    
 H    5.054400       1.932100      0.1618000    
 H    4.945400      0.6896000       1.373900    
 H    5.044200      -1.869300      0.5076000    
 H    5.253700      -2.118500      -1.205700    
 H   -3.152700      -1.046200      -2.026200    
 H    5.205400      0.2992000      -1.656900    
 H   -5.332200      -1.759500      -1.644600    
 H   -3.984900      -2.715500     -0.9291000    
 H   -5.580400      -2.723500     -0.1852000    
 H    6.859500     -0.3758000      0.5603000    


%chk=000107608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107608

0 1
O -3.381755 -0.013798 -1.822326
O -5.111395 -0.798943 1.247272
O 6.861400 -0.064923 -0.498210
C -1.980167 -0.451601 0.239738
C -1.193178 0.851509 -0.101634
C 0.272362 0.845814 0.377602
C 1.014898 -0.397932 -0.207889
C -3.409221 -0.043695 -0.343800
C -2.132254 1.995894 0.351362
C -1.264595 -1.635041 -0.457594
C 2.507246 -0.498467 0.292408
C -3.586140 1.437492 0.148220
C 0.217855 -1.719018 0.001000
C 0.990944 2.141044 -0.067108
C -2.091373 -0.719267 1.763817
C 3.190325 0.882534 0.202728
C 3.278459 -1.492796 -0.645713
C 2.496789 2.040356 0.027813
C -4.555997 -0.967089 0.127378
C 2.585107 -1.002884 1.767743
C -4.463858 2.297676 -0.781977
C 4.711311 0.907847 0.321770
C 4.812314 -1.500050 -0.449234
C 5.392923 -0.088356 -0.644298
C -4.996753 -2.086519 -0.806633
H -1.159943 0.894929 -1.212911
H 0.303125 0.802226 1.486402
H 1.069378 -0.222016 -1.307754
H -1.958219 2.257024 1.413376
H -1.974352 2.914490 -0.241383
H -1.269621 -1.494741 -1.560670
H -1.766043 -2.599846 -0.238655
H -4.096941 1.365113 1.126190
H 0.240526 -2.009867 1.066985
H 0.709452 -2.539856 -0.555201
H 0.635512 2.997168 0.540931
H 0.702339 2.382232 -1.114906
H -2.689618 0.048722 2.279741
H -2.580170 -1.691013 1.958923
H -1.096995 -0.746545 2.239259
H 3.062134 -1.217092 -1.698969
H 2.889080 -2.517623 -0.495758
H 3.059516 2.982916 -0.050815
H 1.918285 -0.413574 2.422288
H 2.300080 -2.068006 1.849339
H 3.607075 -0.907436 2.173905
H -4.016956 2.376921 -1.786924
H -5.477128 1.870195 -0.894498
H -4.571484 3.314383 -0.360480
H 5.094389 1.926452 0.131298
H 5.022643 0.635535 1.355292
H 5.069098 -1.860750 0.569240
H 5.286169 -2.195878 -1.166645
H -3.022028 -0.874428 -2.156113
H 5.238159 0.238180 -1.688545
H -5.454441 -1.656281 -1.716493
H -4.138199 -2.704240 -1.135323
H -5.730900 -2.726405 -0.293468
H 7.085431 -0.348480 0.425605


