%chk=000083078.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083078

0 1
 O    3.912800       1.252200      0.8743000    
 O    2.121200       1.531600     -0.6367000    
 C   -2.245600      -1.429000     -0.5003000    
 C   -1.103800      -2.164500      0.2057000    
 C   -3.174400     -0.6854000      0.4660000    
 C  -0.1672000      -2.897200     -0.7607000    
 C   -4.301100      7.1099997E-02 -0.2430000    
 C   0.9465000      -3.725400     -0.1079000    
 C   -5.223600      0.8248000      0.7203000    
 C    1.884000      -2.960300      0.8327000    
 C   -6.334100       1.602800      1.2900000E-02
 C    2.578800      -1.806800      0.1693000    
 C   -7.212500       2.343700       1.009600    
 C    2.407900     -0.5261000      0.5295000    
 C    3.108600      0.6253000     -0.1339000    
 C    4.953700       2.045200      0.3180000    
 C    1.562100       1.106700      -1.873400    
 C    5.752700       2.669300       1.442100    
 C   0.5339000       2.122000      -2.324500    
 H   -2.833800      -2.148300      -1.083300    
 H   -1.822200     -0.7119000      -1.214500    
 H  -0.5343000      -1.439700      0.7971000    
 H   -1.526000      -2.889000      0.9128000    
 H   -2.583000      2.3600001E-02   1.058300    
 H   -3.609500      -1.403400       1.171800    
 H  -0.7666000      -3.575200      -1.382000    
 H   0.2759000      -2.171200      -1.452300    
 H   -4.896700     -0.6371000     -0.8320000    
 H   -3.863500      0.7842000     -0.9526000    
 H   0.4888000      -4.547300      0.4568000    
 H    1.539700      -4.193100     -0.9041000    
 H   -5.671600      0.1088000       1.420500    
 H   -4.622300       1.519500       1.319900    
 H    2.649900      -3.651900       1.204500    
 H    1.325900      -2.624900       1.714900    
 H   -6.952900      0.9146000     -0.5742000    
 H   -5.894900       2.323000     -0.6868000    
 H    3.256700      -2.047900     -0.6456000    
 H   -7.690100       1.646700       1.705600    
 H   -6.626300       3.062800       1.590700    
 H   -8.000300       2.892900      0.4847000    
 H    1.732200     -0.2863000       1.347000    
 H    3.756700      0.2758000     -0.9490000    
 H    4.523800       2.830700     -0.3133000    
 H    5.612000       1.417500     -0.2928000    
 H    1.078400      0.1316000      -1.761000    
 H    2.353000       1.026500      -2.627400    
 H    5.109400       3.291600       2.072900    
 H    6.178900       1.894900       2.088500    
 H    6.564900       3.287000       1.048600    
 H  -0.2617000       2.221500      -1.578500    
 H   0.9909000       3.110800      -2.436600    
 H   8.7300003E-02   1.829000      -3.278800    


%chk=000083078-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083078

0 1
O 4.165315 1.202229 0.837587
O 2.362566 1.507455 -0.643101
C -2.303682 -1.424218 -0.494858
C -1.224297 -2.267499 0.222061
C -3.310469 -0.767535 0.475775
C -0.216184 -2.913452 -0.754622
C -4.369951 0.106130 -0.233671
C 0.872579 -3.779515 -0.074450
C -5.371646 0.764703 0.741185
C 1.812164 -2.999102 0.889918
C -6.425623 1.648641 0.035543
C 2.559281 -1.873889 0.207902
C -7.416964 2.307148 1.019187
C 2.605306 -0.586834 0.636680
C 3.326642 0.509572 -0.098190
C 5.016610 2.246428 0.220690
C 1.709562 1.064730 -1.885357
C 5.900975 2.812992 1.329494
C 0.788410 2.195606 -2.344396
H -2.851846 -2.063578 -1.218616
H -1.805714 -0.632103 -1.094164
H -0.686166 -1.616722 0.939982
H -1.714591 -3.062099 0.823426
H -2.756504 -0.144656 1.209080
H -3.821319 -1.558686 1.064059
H -0.770632 -3.543109 -1.480915
H 0.273383 -2.112250 -1.346921
H -4.925852 -0.514196 -0.968029
H -3.857496 0.897348 -0.820637
H 0.389313 -4.601439 0.492035
H 1.492117 -4.260914 -0.859140
H -5.889154 -0.025261 1.325321
H -4.814926 1.380569 1.478548
H 2.546135 -3.719642 1.308638
H 1.239739 -2.601041 1.748592
H -6.984694 1.033191 -0.698915
H -5.907003 2.435351 -0.549885
H 3.109192 -2.148925 -0.708757
H -7.967404 1.541668 1.598591
H -6.885894 2.955273 1.741924
H -8.161180 2.930574 0.489953
H 2.078754 -0.264501 1.544374
H 3.921333 0.107559 -0.958704
H 4.368172 3.022694 -0.226250
H 5.626826 1.785528 -0.588031
H 1.129904 0.134451 -1.700580
H 2.480516 0.839153 -2.657359
H 5.278326 3.248794 2.129675
H 6.528368 2.020620 1.773006
H 6.561189 3.604202 0.929016
H 0.030050 2.409866 -1.571690
H 1.365587 3.118887 -2.525594
H 0.269478 1.915602 -3.279608


