%chk=000028012.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028012

0 1
 O   -2.579800       1.720000      0.7300000    
 O    1.825400       3.114100     -0.2306000    
 C   -3.346100     -0.5866000      0.1476000    
 C   -3.702800      0.8827000      0.3753000    
 C   -2.076400     -0.9738000     -9.1100000E-02
 C   -4.483300      -1.590500      0.1676000    
 C   -1.683300      -2.417000     -0.3005000    
 C   -4.126800      -2.952800     -0.4258000    
 C   -2.773100      -3.417300      8.3400004E-02
 C   -1.041300      7.1900003E-02 -0.1683000    
 C   -1.351300       1.368500      0.2507000    
 C   -4.330800       1.490500     -0.8896000    
 C   -4.675700       1.052400       1.554500    
 C   0.2613000     -0.1782000     -0.6296000    
 C    1.222900      0.8359000     -0.6569000    
 C  -0.3866000       2.381600      0.2400000    
 C    2.595600      0.5256000      -1.156200    
 C   0.8999000       2.115500     -0.2184000    
 C    3.529900      5.9700001E-02 -3.0500000E-02
 C    4.921700     -0.2935000     -0.5587000    
 C    5.854000     -0.7239000      0.5748000    
 C    7.254000      -1.044600      5.2000001E-02
 C    8.192700      -1.440100       1.180500    
 H   -4.802300      -1.733000       1.207600    
 H   -5.345600      -1.200100     -0.3839000    
 H   -1.429300      -2.562300      -1.358400    
 H  -0.7903000      -2.659600      0.2883000    
 H   -4.900300      -3.683500     -0.1641000    
 H   -4.106700      -2.886600      -1.521000    
 H   -2.531200      -4.403700     -0.3280000    
 H   -2.807900      -3.526500       1.174900    
 H   -4.528100       2.560000     -0.7498000    
 H   -3.649200       1.413600      -1.745000    
 H   -5.272600       1.003000      -1.160900    
 H   -4.256600      0.6184000       2.470300    
 H   -4.846700       2.114500       1.768300    
 H   -5.649600      0.5892000       1.365700    
 H   0.5443000      -1.170100     -0.9749000    
 H  -0.6506000       3.378200      0.5862000    
 H    3.025000       1.398800      -1.663500    
 H    2.537000     -0.2521000      -1.929300    
 H    3.614600      0.8480000      0.7282000    
 H    3.098800     -0.8156000      0.4721000    
 H    4.841500      -1.100400      -1.297100    
 H    5.347800      0.5759000      -1.074200    
 H    5.438200      -1.604400       1.079700    
 H    5.916800      7.6899998E-02   1.321600    
 H    7.200900      -1.861800     -0.6768000    
 H    7.666800     -0.1722000     -0.4680000    
 H    1.418300       3.929100      0.1101000    
 H    9.187500      -1.666500      0.7843000    
 H    8.293700     -0.6295000       1.909300    
 H    7.824900      -2.328700       1.703300    


%chk=000028012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028012

0 1
O -2.593291 1.625213 0.921950
O 2.011161 2.825420 -0.066128
C -3.512519 -0.599254 0.182305
C -3.813298 0.888152 0.408531
C -2.240004 -1.014790 -0.123374
C -4.705527 -1.544017 0.216793
C -1.914806 -2.479715 -0.401928
C -4.413597 -2.895804 -0.469958
C -3.050892 -3.442675 0.002782
C -1.139519 -0.031519 -0.172983
C -1.360533 1.269182 0.360515
C -4.226442 1.562678 -0.924275
C -4.847369 1.143697 1.519757
C 0.161913 -0.316579 -0.666293
C 1.222863 0.614953 -0.641114
C -0.329709 2.226507 0.417421
C 2.609088 0.269066 -1.154590
C 0.947059 1.893481 -0.082997
C 3.632651 -0.003595 -0.016681
C 5.040064 -0.341503 -0.554453
C 6.080671 -0.572049 0.563354
C 7.492653 -0.900162 0.026911
C 8.526848 -1.131000 1.149064
H -5.012641 -1.722445 1.269761
H -5.579124 -1.060810 -0.266591
H -1.691294 -2.599668 -1.483693
H -0.983818 -2.755569 0.131052
H -5.225214 -3.615147 -0.251896
H -4.387568 -2.754000 -1.569100
H -2.861718 -4.448078 -0.418284
H -3.069665 -3.550372 1.105791
H -4.465833 2.627371 -0.755245
H -3.403250 1.492892 -1.656466
H -5.114736 1.065196 -1.354977
H -4.534853 0.658336 2.459692
H -4.924286 2.229551 1.697370
H -5.844484 0.766724 1.234273
H 0.364933 -1.305778 -1.092513
H -0.547483 3.212189 0.844573
H 2.997469 1.103468 -1.769677
H 2.547849 -0.623000 -1.808525
H 3.687216 0.893846 0.628728
H 3.263666 -0.834160 0.618473
H 4.985166 -1.244107 -1.199476
H 5.386518 0.485611 -1.209685
H 5.739640 -1.396915 1.224114
H 6.133797 0.333182 1.203459
H 7.436956 -1.799792 -0.619621
H 7.833867 -0.071190 -0.626585
H 1.705790 3.684363 0.317822
H 9.528897 -1.354273 0.738818
H 8.616308 -0.235767 1.792856
H 8.229628 -1.978241 1.796143


