%chk=000074466.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074466

0 1
 O   5.4000001E-02  0.6086000      -2.015400    
 O    2.393400      0.8737000      -2.201000    
 O   -1.512700      0.3147000       1.785100    
 O   -2.166000       2.010800      -1.151100    
 O    5.132600      -1.958000      0.4804000    
 O   -3.994600      -3.433800      0.2034000    
 C   0.1009000      0.3713000     -0.5719000    
 C    1.502700     -0.2681000     -0.2918000    
 C   -1.037500     -0.6777000     -0.3437000    
 C  -0.1443000       1.684500      9.4899997E-02
 C    2.525800      3.9600000E-02  -1.131800    
 C   -1.745000     -0.6142000      0.8157000    
 C   -1.267800       2.447100     -0.2240000    
 C    1.590800      -1.094100      0.7860000    
 C   -1.237200      -1.587400      -1.336700    
 C   0.7650000       2.146400       1.046400    
 C    3.767500     -0.5383000     -0.8679000    
 C   -2.756200      -1.556500       1.003100    
 C    2.832600      -1.671900       1.049900    
 C   -2.248300      -2.529500      -1.149200    
 C   -1.482000       3.671700      0.4085000    
 C    3.920900      -1.394100      0.2228000    
 C   -3.007800      -2.514300      2.0700000E-02
 C   0.5509000       3.371000       1.678900    
 C  -0.5726000       4.133700       1.360000    
 C    2.635900       2.260700      -1.974600    
 C   -2.336000      0.2572000       2.948100    
 C   -3.285500       2.853900      -1.415400    
 C    5.218900      -2.823000       1.611800    
 C   -4.198200      -4.383900     -0.8413000    
 H   0.7762000      -1.312400       1.463700    
 H  -0.6452000      -1.637000      -2.243800    
 H    1.654400       1.602100       1.341900    
 H  -0.8449000      0.8860000      -2.262700    
 H    4.616500     -0.3227000      -1.511900    
 H   -3.383100      -1.600600       1.887500    
 H    2.883400      -2.322300       1.916500    
 H   -2.386900      -3.248300      -1.949600    
 H   -2.330900       4.317500      0.2128000    
 H    1.257900       3.730900       2.420700    
 H  -0.7385000       5.087000       1.853700    
 H    3.295300       2.625200      -2.767500    
 H    3.116300       2.452000      -1.008800    
 H    1.693300       2.811200      -2.032700    
 H   -2.012400       1.067200       3.610300    
 H   -2.193200     -0.6788000       3.498600    
 H   -3.387800      0.4461000       2.707700    
 H   -3.893100       2.351800      -2.175600    
 H   -3.919300       2.972200     -0.5301000    
 H   -2.976200       3.814900      -1.840200    
 H    4.579200      -3.704400       1.494300    
 H    5.018400      -2.285900       2.545000    
 H    6.251700      -3.182700       1.665600    
 H   -3.319500      -5.022600     -0.9812000    
 H   -4.510800      -3.898100      -1.771900    
 H   -5.020700      -5.036000     -0.5293000    


%chk=000074466-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000074466

0 1
O 0.124443 0.632882 -2.103988
O 2.966940 1.140261 -1.992534
O -1.283676 0.094795 1.958599
O -2.030473 2.072383 -1.407608
O 5.270437 -2.039294 0.585620
O -4.121041 -3.453513 0.290603
C 0.132457 0.415269 -0.631052
C 1.530790 -0.156688 -0.304511
C -0.992159 -0.624721 -0.325691
C -0.141551 1.780748 0.059850
C 2.761984 0.211729 -0.956162
C -1.702022 -0.740857 0.909311
C -1.244481 2.588193 -0.345588
C 1.627868 -1.151664 0.700978
C -1.335942 -1.538232 -1.344967
C 0.679209 2.279368 1.092234
C 3.964608 -0.458780 -0.626099
C -2.742551 -1.681061 1.070432
C 2.824593 -1.805518 1.055303
C -2.356493 -2.504455 -1.204417
C -1.518367 3.831164 0.266884
C 4.008440 -1.461442 0.361042
C -3.071260 -2.559932 0.012928
C 0.424644 3.521142 1.716523
C -0.679437 4.296284 1.305206
C 2.419111 2.500445 -1.924319
C -2.036317 0.065857 3.212430
C -3.226525 2.809625 -1.818417
C 5.353629 -3.079328 1.611384
C -4.481858 -4.407647 -0.759728
H 0.714569 -1.443928 1.224503
H -0.776926 -1.472119 -2.283038
H 1.521125 1.665528 1.427471
H -0.772577 1.031169 -2.300243
H 4.878371 -0.171834 -1.152493
H -3.303672 -1.772035 2.003777
H 2.812389 -2.568487 1.838533
H -2.574577 -3.185235 -2.031714
H -2.366534 4.442031 -0.056486
H 1.082143 3.875569 2.517524
H -0.890527 5.261644 1.778843
H 2.942698 3.049543 -2.723547
H 2.637372 2.967617 -0.945199
H 1.334310 2.491867 -2.111558
H -1.557684 0.827484 3.845619
H -1.969791 -0.925525 3.702227
H -3.099971 0.327469 3.050442
H -3.682797 2.198503 -2.611041
H -3.933860 2.914642 -0.974627
H -2.965852 3.808699 -2.217778
H 4.709209 -3.945074 1.361873
H 5.073284 -2.687332 2.609055
H 6.408221 -3.392683 1.619996
H -3.631168 -5.070406 -1.011401
H -4.827909 -3.888235 -1.674674
H -5.304549 -5.003485 -0.337408


