%chk=000008364.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008364

0 1
 O   0.2475000     -0.1361000      3.4499999E-02
 O    1.368600      -1.860800       1.067900    
 O    3.798400      -2.156000     -0.1115000    
 C   -2.157300      0.1377000     -0.1613000    
 C   -3.487200     -0.6267000      9.3999999E-03
 C   -2.159300       1.554800      0.4547000    
 C   -4.689100      8.5400000E-02 -0.6199000    
 C   -1.001200     -0.7280000      0.3659000    
 C   -6.005600     -0.6728000     -0.4302000    
 C   -2.383700       1.606000       1.959600    
 C   -7.207000      4.1499998E-02  -1.030200    
 C    1.357300     -0.8091000      0.4473000    
 C    2.591100     -8.9500003E-02  4.1900001E-02
 C    3.747100     -0.7982000     -0.2168000    
 C    2.536100       1.286700     -6.3299999E-02
 C    4.895400     -0.1033000     -0.5962000    
 C    3.684600       1.981600     -0.4427000    
 C    4.864300       1.286700     -0.7091000    
 H   -1.988300      0.2778000      -1.238400    
 H   -3.392600      -1.615700     -0.4575000    
 H   -3.682800     -0.8083000       1.073000    
 H   -2.915400       2.175100     -3.9099999E-02
 H   -1.199600       2.039800      0.2356000    
 H   -4.504700      0.2322000      -1.691000    
 H   -4.809200       1.079500     -0.1762000    
 H   -1.047100      -1.718600     -0.1039000    
 H   -1.074700     -0.8640000       1.450800    
 H   -5.920600      -1.666900     -0.8847000    
 H   -6.185400     -0.8269000      0.6405000    
 H   -1.597700       1.076500       2.504900    
 H   -2.373600       2.647000       2.299700    
 H   -3.351400       1.179100       2.237500    
 H   -8.117500     -0.5435000     -0.8680000    
 H   -7.346500       1.024700     -0.5698000    
 H   -7.078700      0.1818000      -2.108100    
 H    1.636500       1.855300      0.1526000    
 H    5.821600     -0.6315000     -0.8066000    
 H    3.661600       3.064200     -0.5273000    
 H    5.758600       1.828000      -1.003500    
 H    4.695700      -2.458400     -0.3339000    


%chk=000008364-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008364

0 1
O 0.233574 -0.198429 -0.104169
O 1.322452 -2.049478 0.794432
O 4.059490 -2.052858 0.399113
C -2.190127 0.096222 -0.205683
C -3.553851 -0.624493 -0.013914
C -2.103460 1.479770 0.501060
C -4.772433 0.180534 -0.519469
C -1.061956 -0.851831 0.229913
C -6.092557 -0.620738 -0.446482
C -2.350044 1.463080 2.027243
C -7.314864 0.189383 -0.929896
C 1.390649 -0.921224 0.254049
C 2.620255 -0.148035 -0.088889
C 3.926053 -0.719570 0.008229
C 2.514487 1.207236 -0.510632
C 5.070610 0.060137 -0.302924
C 3.649023 1.981096 -0.816930
C 4.935310 1.400795 -0.709918
H -2.057278 0.278929 -1.293509
H -3.522173 -1.593995 -0.554559
H -3.701463 -0.875736 1.056744
H -2.830145 2.166391 0.024760
H -1.100411 1.902219 0.301333
H -4.594991 0.497795 -1.568678
H -4.883255 1.110939 0.073057
H -1.112629 -1.819081 -0.304229
H -1.080361 -1.064559 1.315104
H -5.993311 -1.543016 -1.054767
H -6.258508 -0.954992 0.598207
H -1.622661 0.819185 2.554964
H -2.249271 2.481632 2.444762
H -3.364624 1.101729 2.276603
H -8.244823 -0.405557 -0.871340
H -7.455791 1.098424 -0.315051
H -7.185785 0.512585 -1.980211
H 1.512762 1.636203 -0.589813
H 6.068327 -0.392079 -0.224291
H 3.535759 3.022205 -1.134400
H 5.829831 1.988404 -0.943518
H 5.016394 -2.312123 0.410299


