%chk=000130325.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130325

0 1
 O   0.5642000       2.581800      -1.155900    
 O   -8.091500      0.3560000      0.5927000    
 O   -7.424800      -1.816200      0.6503000    
 C    2.894800      -2.894100     -0.1925000    
 C    5.317700       1.409500      0.5843000    
 C    2.896700      -1.357300     -0.1419000    
 C    4.067300      0.6764000      0.2326000    
 C    4.065700     -0.7179000      0.1866000    
 C    4.260800      -3.532400      0.1473000    
 C    1.869100      -3.446300      0.8210000    
 C    2.511500      -3.366600      -1.611600    
 C    5.121200       2.281600       1.863000    
 C    5.759600       2.361000     -0.5705000    
 C    6.562600      0.5094000      0.8815000    
 C    1.729100     -0.6948000     -0.4275000    
 C    2.899800       1.384800     -5.1600002E-02
 C    1.730700      0.6992000     -0.3815000    
 C   0.5137000       1.437900     -0.6788000    
 C  -0.8104000      0.7992000     -0.3668000    
 C   -1.956900       1.455100     -0.5995000    
 C   -3.299100      0.9182000     -0.3137000    
 C   -3.466500     -0.4496000     -0.1712000    
 C   -4.367800       1.791800     -0.1940000    
 C   -4.737200     -0.9578000      9.8099999E-02
 C   -5.638700       1.283700      7.5400002E-02
 C   -5.823300     -9.1300003E-02  0.2215000    
 C   -7.148200     -0.6212000      0.5026000    
 H    4.968700      -1.264200      0.4062000    
 H    4.199800      -4.626900      9.6100003E-02
 H    5.043300      -3.232700     -0.5599000    
 H    4.588300      -3.288100       1.164900    
 H   0.8432000      -3.141300      0.5872000    
 H    1.879100      -4.542600      0.8345000    
 H    2.092200      -3.099100       1.836900    
 H    2.551400      -4.459700      -1.687000    
 H    1.496600      -3.067200      -1.894500    
 H    3.197300      -2.956600      -2.362600    
 H    6.047900       2.797700       2.139800    
 H    4.353800       3.050400       1.720900    
 H    4.814400       1.661400       2.713500    
 H    5.008700       3.131500     -0.7765000    
 H    6.694400       2.878500     -0.3252000    
 H    5.919500       1.798800      -1.498100    
 H    7.439100       1.120000       1.131200    
 H    6.385100     -0.1555000       1.734900    
 H    6.836800     -9.9399999E-02  1.2000000E-02
 H   0.8414000      -1.244500     -0.7172000    
 H    2.891900       2.471100     -1.3900000E-02
 H  -0.8014000     -0.1686000      0.1175000    
 H   -1.938600       2.451000      -1.035700    
 H   -2.656100      -1.163100     -0.2822000    
 H   -4.238900       2.865400     -0.3040000    
 H   -4.861700      -2.032500      0.2033000    
 H   -6.456100       1.993800      0.1637000    
 H   -8.980900     -1.1700000E-02  0.7828000    


%chk=000130325-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130325

0 1
O 0.503050 2.698650 0.047299
O -8.448941 0.525869 -0.180248
O -7.827439 -1.710754 -0.092602
C 3.013392 -3.035781 -0.086674
C 5.494510 1.513326 0.412611
C 3.007699 -1.490727 0.028074
C 4.195214 0.684541 0.265249
C 4.198171 -0.732998 0.168403
C 4.443299 -3.632629 -0.030787
C 2.187628 -3.645851 1.086214
C 2.368527 -3.454610 -1.442866
C 5.424445 2.348613 1.726733
C 5.622744 2.480029 -0.803657
C 6.765715 0.627952 0.467933
C 1.776079 -0.791365 -0.008219
C 2.947809 1.344570 0.218854
C 1.733644 0.623748 0.086623
C 0.459299 1.422229 0.047549
C -0.854423 0.716660 0.018720
C -2.021462 1.431947 -0.032924
C -3.392148 0.908595 -0.055470
C -3.702910 -0.485084 -0.020967
C -4.472294 1.838355 -0.113244
C -5.034400 -0.924635 -0.043221
C -5.809364 1.404174 -0.136073
C -6.099503 0.016039 -0.101015
C -7.491943 -0.501124 -0.122027
H 5.153898 -1.260247 0.202215
H 4.385013 -4.732993 -0.116553
H 5.074183 -3.265773 -0.861469
H 4.950484 -3.398638 0.923545
H 1.143209 -3.285388 1.083645
H 2.164531 -4.748784 1.003513
H 2.633566 -3.380341 2.062226
H 2.353143 -4.557035 -1.534214
H 1.328012 -3.094078 -1.532227
H 2.941648 -3.044056 -2.294268
H 6.338741 2.961600 1.837381
H 4.556410 3.030983 1.729738
H 5.340541 1.688993 2.610011
H 4.756215 3.160779 -0.874213
H 6.535000 3.098089 -0.705032
H 5.687882 1.914854 -1.751618
H 7.657197 1.271813 0.579587
H 6.746059 -0.066788 1.328338
H 6.896764 0.035794 -0.456959
H 0.848657 -1.361488 -0.121191
H 2.870956 2.435242 0.282297
H -0.866634 -0.376970 0.050611
H -1.909396 2.526242 -0.057748
H -2.896184 -1.223890 0.024549
H -4.248017 2.911014 -0.139855
H -5.280804 -1.991090 -0.016341
H -6.632836 2.121805 -0.180365
H -9.355336 0.116612 -0.191372


