%chk=000005213.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005213

0 1
 O    2.098200      0.1314000      0.4093000    
 O    2.227200      -2.714600     -3.9999999E-04
 O   -3.547600     -0.4419000      0.7472000    
 O   -2.586900      0.3347000      -2.722300    
 O    4.635900      -3.829400     -0.6695000    
 O   -5.198000       1.033700      -2.708300    
 O   -7.402700       1.554300      -1.436300    
 O    6.414100       2.228300      -1.536900    
 O   -7.501900      0.4864000       3.186700    
 O    7.719800       2.796400      0.8506000    
 C    3.230200     -0.6576000      0.8166000    
 C    3.385900      -1.870200     -0.1158000    
 C   -2.722900      3.5100002E-02 -0.3278000    
 C   -1.391600     -0.6853000     -0.2267000    
 C   -3.391500     -0.1962000      -1.684000    
 C   0.9956000     -0.6294000      0.1323000    
 C    1.056300      -2.009500     -5.6000002E-02
 C    4.428900      0.2657000      0.8226000    
 C  -0.2264000      3.6499999E-02  3.2400001E-02
 C    4.588500      -2.741700      0.2355000    
 C   -1.334800      -2.069800     -0.3876000    
 C   -4.720700      0.5265000      -1.700300    
 C  -0.1110000      -2.733600     -0.3007000    
 C   -5.446200      0.5562000     -0.4151000    
 C   -4.823200      5.5500001E-02  0.7304000    
 C    4.878200      0.8319000     -0.3702000    
 C    5.084500      0.5498000       2.020300    
 C   -6.750800       1.053000     -0.3501000    
 C   -5.521900      2.0099999E-02   1.938500    
 C    5.983400       1.682700     -0.3651000    
 C    6.189900       1.400400       2.025400    
 C   -6.825800      0.5116000       2.005400    
 C   -7.437100       1.031200      0.8644000    
 C    6.639400       1.966900      0.8326000    
 C    7.384900       1.490900      -2.277100    
 H    3.026400      -1.003500       1.840500    
 H    3.449000      -1.568000      -1.170500    
 H   -2.550200       1.110700     -0.1739000    
 H   -3.589900      -1.255400      -1.884600    
 H  -0.2640000       1.114500      0.1678000    
 H    4.489800      -3.158700       1.242900    
 H    5.535700      -2.199100      0.1703000    
 H   -2.233900      -2.650500     -0.5745000    
 H  -7.4100003E-02  -3.811500     -0.4330000    
 H    4.370300      0.6241000      -1.308500    
 H    4.746200      0.1155000       2.957100    
 H   -5.048300     -0.3814000       2.831200    
 H   -3.007200      0.1013000      -3.567700    
 H    6.691600       1.613200       2.965500    
 H   -8.453700       1.413200      0.9243000    
 H    4.758700      -3.465400      -1.562800    
 H   -8.294500       1.841700      -1.176200    
 H   -8.387600      0.8650000       3.052100    
 H    8.043300       2.875500       1.764500    
 H    7.630300       2.057200      -3.179600    
 H    6.982300      0.5170000      -2.573300    
 H    8.298200       1.356800      -1.688900    


%chk=000005213-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005213

0 1
O 2.205483 0.083141 0.537301
O 2.143745 -2.823954 0.612151
O -3.792382 -0.474652 0.798694
O -2.137453 0.940609 -2.244583
O 4.635739 -4.205033 -0.133895
O -4.583458 1.936849 -2.490033
O -7.248675 1.941494 -1.693133
O 6.002216 2.144396 -1.999513
O -8.244075 -0.498864 2.437929
O 8.065652 2.471105 0.012017
C 3.370572 -0.709973 1.021556
C 3.379378 -2.078052 0.279248
C -2.703833 0.207007 0.021025
C -1.436241 -0.587434 0.233180
C -3.156438 0.287582 -1.455589
C 0.995160 -0.641094 0.449834
C 0.963570 -2.058895 0.495331
C 4.605037 0.128241 0.776000
C -0.200499 0.088411 0.317230
C 4.554876 -2.982613 0.668402
C -1.467700 -2.004505 0.303612
C -4.483780 1.082679 -1.554500
C -0.271021 -2.735363 0.435598
C -5.488288 0.759497 -0.537968
C -5.101747 -0.047169 0.591098
C 4.804420 0.749161 -0.478968
C 5.589378 0.273340 1.780755
C -6.862115 1.159121 -0.608923
C -6.024591 -0.461516 1.567663
C 5.961856 1.510217 -0.751448
C 6.751919 1.029592 1.524687
C -7.368225 -0.062767 1.440830
C -7.799295 0.752171 0.363426
C 6.943177 1.660585 0.274706
C 7.272610 2.164917 -2.755365
H 3.236782 -0.906142 2.105499
H 3.386441 -1.873841 -0.814766
H -2.594834 1.237888 0.414893
H -3.336283 -0.745775 -1.827064
H -0.144871 1.180107 0.263567
H 4.419445 -3.339584 1.703010
H 5.494914 -2.399301 0.602419
H -2.427480 -2.528175 0.273643
H -0.269752 -3.828439 0.485807
H 4.041926 0.688318 -1.261394
H 5.450479 -0.190900 2.763504
H -5.698369 -1.063679 2.417127
H -2.625468 1.610180 -2.811620
H 7.507629 1.154074 2.311879
H -8.849523 1.063675 0.284209
H 4.711516 -3.962037 -1.091692
H -8.222554 2.124278 -1.666713
H -9.163330 -0.165888 2.285859
H 8.635650 2.542295 0.817550
H 7.014155 2.637560 -3.714883
H 7.633721 1.133012 -2.930302
H 8.043136 2.746343 -2.226187


