%chk=000072815.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072815

0 1
 O  -0.1501000     -0.4073000      8.0399998E-02
 O   -4.103600       2.349000     -0.3845000    
 O   -1.737100      -2.565800      0.4866000    
 O   -5.647000      0.1379000      3.0400001E-02
 O   -4.481100      -2.319000      0.4655000    
 O   -1.684200       3.309200     -0.5769000    
 O    5.257600       2.003400      0.8465000    
 O    4.373100      -2.399400     -0.8177000    
 O    6.175200     -0.4894000      6.2600002E-02
 C   -2.100200       1.020500     -0.1616000    
 C   -1.509300     -0.2226000      5.8499999E-02
 C   -3.490900       1.149700     -0.1724000    
 C   0.6692000      0.6908000     -0.1329000    
 C   -2.308100      -1.346600      0.2699000    
 C    2.112400      0.3815000     -8.1799999E-02
 C   -4.287500      2.3800001E-02  3.9099999E-02
 C   -1.234100       2.189100     -0.3799000    
 C   -3.697700      -1.221700      0.2598000    
 C   0.2209000       1.937700     -0.3487000    
 C    2.575100     -0.8761000     -0.4772000    
 C    3.021300       1.345000      0.3623000    
 C    4.384300       1.052700      0.4108000    
 C    3.938200      -1.168300     -0.4285000    
 C    4.842800     -0.2039000      1.5300000E-02
 C   -4.382900       3.145200      0.7648000    
 C   -1.477200      -3.371300     -0.6606000    
 C   -6.301900     -3.5100002E-02  -1.223700    
 C   -4.841200      -2.612900       1.813200    
 C    5.806200       2.878800     -0.1368000    
 C    3.383200      -3.327000      -1.258100    
 C    6.674600      -1.047900       1.275500    
 H   0.8631000       2.792000     -0.5279000    
 H    1.838300      -1.591300     -0.8270000    
 H    2.694700       2.326000      0.6988000    
 H   -5.234200       2.726700       1.310300    
 H   -3.515900       3.212300       1.429900    
 H   -4.645500       4.152000      0.4287000    
 H  -0.7786000      -2.867100      -1.335900    
 H   -2.407800      -3.603100      -1.188000    
 H   -1.023200      -4.307800     -0.3253000    
 H   -6.117600      -1.038700      -1.619800    
 H   -7.377300      8.6499996E-02  -1.067900    
 H   -5.965600      0.7193000      -1.942000    
 H   -5.464300      -3.511400       1.812800    
 H   -3.949200      -2.806500       2.417300    
 H   -5.416500      -1.788900       2.247100    
 H    5.012500       3.455700     -0.6220000    
 H    6.370900       2.313200     -0.8847000    
 H    6.486900       3.572700      0.3639000    
 H    2.876500      -2.977800      -2.164300    
 H    2.680600      -3.580400     -0.4566000    
 H    3.905500      -4.251900      -1.524400    
 H    7.747900      -1.220100       1.156700    
 H    6.522000     -0.3560000       2.109900    
 H    6.188400      -2.005300       1.488000    


%chk=000072815-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072815

0 1
O -0.119639 -0.214238 0.014300
O -4.484497 2.184021 0.117575
O -1.397764 -2.556603 -0.018161
O -5.727473 -0.271032 -0.006843
O -4.216314 -2.655941 -0.202730
O -1.906840 3.545784 0.164716
O 5.327803 2.465304 -0.058881
O 4.407297 -2.323466 0.147058
O 6.264861 -0.214017 0.041620
C -2.215333 1.111944 0.111033
C -1.519398 -0.132543 0.028546
C -3.649691 1.060430 0.106434
C 0.656418 0.950520 0.045274
C -2.174777 -1.388620 -0.045651
C 2.099533 0.648199 0.033930
C -4.323121 -0.185461 -0.014539
C -1.405195 2.368838 0.123138
C -3.591542 -1.408884 -0.066973
C 0.045517 2.183355 0.084655
C 2.529423 -0.704471 0.102343
C 3.062479 1.681546 -0.055528
C 4.438934 1.377523 -0.049436
C 3.903712 -1.012841 0.102608
C 4.884352 0.027031 0.054662
C -4.527157 3.000148 1.354524
C -1.496400 -3.418786 -1.220079
C -6.414017 0.357065 -1.162659
C -5.167904 -3.040865 0.869578
C 6.346194 2.492508 -1.133139
C 3.431395 -3.419459 0.165599
C 6.827311 -1.010193 1.157644
H 0.644693 3.095545 0.106756
H 1.771687 -1.489019 0.151141
H 2.781755 2.735535 -0.124387
H -4.709445 2.349569 2.230363
H -3.589378 3.570102 1.451383
H -5.377471 3.683673 1.208064
H -1.121571 -2.876753 -2.109326
H -2.538126 -3.744849 -1.376702
H -0.850240 -4.283921 -1.005961
H -6.116442 -0.150569 -2.099464
H -7.487998 0.205130 -0.975905
H -6.173452 1.431595 -1.207049
H -5.563709 -4.019819 0.560106
H -4.627797 -3.136624 1.829795
H -5.976981 -2.297288 0.948589
H 5.851854 2.564740 -2.121311
H 6.986261 1.596378 -1.090254
H 6.935087 3.402432 -0.942684
H 2.795216 -3.399723 -0.739637
H 2.792663 -3.375342 1.068072
H 4.035759 -4.338254 0.178061
H 7.913216 -1.015350 0.979696
H 6.604133 -0.518868 2.123028
H 6.423716 -2.035015 1.144510


