%chk=000031853.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031853

0 1
 O   -4.565100       1.174100     -0.5428000    
 O    5.713700     -0.4001000       1.041000    
 C   0.4047000     -0.3131000     -0.1753000    
 C  -0.2725000       1.029400     -0.5364000    
 C    1.894300     -0.3441000     -0.6375000    
 C   -1.736000       1.061400     -7.3200002E-02
 C  -0.4110000      -1.483600     -0.7571000    
 C   -2.537100     -0.1047000     -0.6629000    
 C   0.5043000       2.201700      7.3100001E-02
 C   -1.874200      -1.441000     -0.3181000    
 C    2.640700      0.9032000     -0.1841000    
 C    1.943400       2.218500     -0.4256000    
 C    2.581700      -1.634200     -0.1435000    
 C   -3.981200     -7.4199997E-02 -0.1658000    
 C    4.093600      -1.578700     -0.2752000    
 C    3.866400      0.8862000      0.3635000    
 C    4.634200     -0.3767000      0.4544000    
 C   -4.800800      -1.179100     -0.8306000    
 C   -4.029800     -0.2146000       1.300700    
 C   -4.069400     -0.3304000       2.495200    
 H   0.3881000     -0.4115000      0.9208000    
 H  -0.2625000       1.143300      -1.630000    
 H    1.917400     -0.3455000      -1.736600    
 H   -1.753900       1.040900       1.023300    
 H   -2.181800       2.016500     -0.3777000    
 H   8.6000003E-03  -2.443200     -0.4370000    
 H  -0.3590000      -1.462100      -1.853000    
 H   -2.535100      2.0400001E-02  -1.755400    
 H   0.4923000       2.135100       1.168800    
 H   2.2000000E-02   3.150000     -0.1933000    
 H   -2.385000      -2.272800     -0.8145000    
 H   -1.908500      -1.641500      0.7590000    
 H    2.475900       3.048700      5.4000001E-02
 H    1.952000       2.422400      -1.504000    
 H    2.215800      -2.498100     -0.7095000    
 H    2.325000      -1.810000      0.9100000    
 H    4.400900      -1.519100      -1.324800    
 H    4.531100      -2.482600      0.1623000    
 H    4.366200       1.791700      0.6900000    
 H   -4.709700      -1.135700      -1.922100    
 H   -4.527100      -2.183700     -0.4930000    
 H   -5.868900      -1.053200     -0.6111000    
 H   -5.490400       1.181900     -0.2429000    
 H   -4.103400     -0.4332000       3.554500    


%chk=000031853-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031853

0 1
O -4.525276 1.214734 -0.680837
O 5.949598 -0.373147 0.835840
C 0.432848 -0.313961 -0.142721
C -0.268986 1.028737 -0.483262
C 1.925759 -0.342762 -0.624809
C -1.741320 1.025650 -0.009324
C -0.376641 -1.501945 -0.720664
C -2.544721 -0.151882 -0.609605
C 0.508217 2.214702 0.125203
C -1.854086 -1.491816 -0.262746
C 2.681531 0.914141 -0.190200
C 1.970530 2.240743 -0.380180
C 2.643911 -1.635115 -0.152325
C -4.046893 -0.110649 -0.184333
C 4.173644 -1.582747 -0.346668
C 3.960678 0.868715 0.305416
C 4.783277 -0.357270 0.333963
C -4.884813 -1.222544 -0.863963
C -4.220462 -0.180166 1.289140
C -4.416992 -0.240962 2.505277
H 0.442045 -0.408522 0.967106
H -0.260928 1.144153 -1.592105
H 1.899235 -0.336371 -1.741054
H -1.765090 0.953985 1.098270
H -2.229859 1.977997 -0.282439
H 0.081286 -2.463203 -0.422516
H -0.333526 -1.456878 -1.830504
H -2.556354 -0.034889 -1.714910
H 0.496081 2.131748 1.231120
H 0.008979 3.168786 -0.132783
H -2.380152 -2.342499 -0.735690
H -1.900723 -1.650316 0.834121
H 2.544298 3.053173 0.102308
H 1.950795 2.467895 -1.469058
H 2.237850 -2.511235 -0.689422
H 2.422350 -1.785382 0.924205
H 4.415570 -1.519225 -1.428623
H 4.668701 -2.489807 0.042251
H 4.456770 1.784717 0.652283
H -4.742337 -1.170003 -1.957677
H -4.598598 -2.226929 -0.509053
H -5.958790 -1.085052 -0.640768
H -5.461440 1.341042 -0.377831
H -4.576070 -0.286943 3.567168


