%chk=000094436.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094436

0 1
 O   -3.235300      0.4275000       1.165600    
 O   -5.084800     -0.1530000      -1.468800    
 O    6.501800      0.7714000       1.486300    
 O   -5.343500     -0.5045000       1.319700    
 C   -1.685400      0.2223000     -0.7253000    
 C  -0.8619000     -0.8524000      2.1900000E-02
 C   0.6137000     -0.8769000     -0.3948000    
 C    1.246400      0.5183000     -0.1007000    
 C   -3.093300     -8.8100001E-02 -0.1548000    
 C   -1.087900       1.592800     -0.3657000    
 C   -1.691600      -2.121200     -0.1520000    
 C    2.782500      0.5696000     -0.4627000    
 C   0.4096000       1.673200     -0.7136000    
 C   -3.153700      -1.631300     -0.1115000    
 C    1.391600      -1.966100      0.3561000    
 C   -1.680400      4.0500000E-02  -2.268500    
 C    3.516500     -0.6404000      0.1402000    
 C    3.372900       1.887600      0.1187000    
 C    2.850700      -1.935800     -7.8999996E-03
 C   -4.215700      0.5323000     -0.9322000    
 C    3.013000      0.5515000      -1.993100    
 C    4.893200       1.918800      0.1370000    
 C    4.695700     -0.5551000      0.7817000    
 C    5.436800      0.7244000      0.8738000    
 C   -4.227900       2.034300      -1.021400    
 C    3.478700      -3.025900     -0.4795000    
 C   -4.417100      0.1423000       1.789400    
 C   -4.424600      0.7439000       3.162100    
 H  -0.8784000     -0.6210000       1.099800    
 H   0.6826000      -1.098000      -1.465600    
 H    1.179900      0.6553000      0.9912000    
 H   -1.199100       1.795600      0.7066000    
 H   -1.598400       2.404700     -0.8910000    
 H   -1.494800      -2.848100      0.6430000    
 H   -1.478400      -2.612400      -1.108100    
 H   0.5230000       1.691200      -1.801900    
 H   0.7816000       2.637500     -0.3502000    
 H   -3.682700      -2.064400     -0.9677000    
 H   -3.613500      -2.042700      0.7916000    
 H   0.9597000      -2.948500      0.1295000    
 H    1.291800      -1.826900       1.440900    
 H   -2.208600      0.8581000      -2.768500    
 H  -0.6719000      2.8000001E-02  -2.689800    
 H   -2.162100     -0.8913000      -2.581600    
 H    3.017400       2.023300       1.149800    
 H    3.017700       2.755600     -0.4493000    
 H    2.655700       1.472100      -2.466000    
 H    4.077500      0.4604000      -2.239600    
 H    2.505100     -0.2878000      -2.478600    
 H    5.226200       2.826100      0.6534000    
 H    5.312800       1.929800     -0.8736000    
 H    5.178500      -1.420400       1.225600    
 H   -3.868900       2.499800     -0.1014000    
 H   -3.640000       2.371700      -1.875800    
 H   -5.262000       2.364400      -1.164800    
 H    2.955600      -3.969800     -0.5945000    
 H    4.524100      -3.006700     -0.7706000    
 H   -4.325200       1.829900       3.090300    
 H   -3.610600      0.3207000       3.755900    
 H   -5.373200      0.5122000       3.654700    


%chk=000094436-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094436

0 1
O -3.149439 0.443651 1.106109
O -4.767581 -0.005219 -2.121490
O 6.555685 0.853386 1.608782
O -5.378441 -0.174017 1.430453
C -1.688779 0.241993 -0.851739
C -0.885142 -0.881976 -0.118421
C 0.614369 -0.902402 -0.480632
C 1.237680 0.488464 -0.144027
C -3.147928 -0.079586 -0.311385
C -1.082461 1.612154 -0.463508
C -1.735011 -2.154617 -0.345449
C 2.788673 0.561607 -0.447091
C 0.435356 1.652354 -0.792927
C -3.210544 -1.638585 -0.310539
C 1.346533 -2.019309 0.304562
C -1.686218 0.068513 -2.396439
C 3.493942 -0.624265 0.245384
C 3.349764 1.906886 0.108405
C 2.856669 -1.965909 0.129246
C -4.269452 0.597487 -1.135335
C 3.085751 0.446195 -1.976206
C 4.889119 1.958056 0.192548
C 4.686794 -0.480245 0.918054
C 5.457336 0.775824 0.974470
C -4.689831 2.016660 -0.781420
C 3.593572 -3.083559 -0.132117
C -4.303162 0.284649 1.879276
C -4.050159 0.745675 3.297999
H -0.943809 -0.637526 0.965574
H 0.730474 -1.109374 -1.563812
H 1.139703 0.606685 0.961120
H -1.230707 1.783373 0.618769
H -1.586354 2.437960 -1.003790
H -1.554188 -2.923394 0.425793
H -1.499768 -2.612372 -1.325093
H 0.570085 1.637564 -1.890746
H 0.834865 2.621237 -0.441586
H -3.792088 -1.963943 -1.189235
H -3.755757 -1.991351 0.579596
H 0.966924 -3.013361 0.006499
H 1.105070 -1.889294 1.382430
H -2.191356 0.920461 -2.885923
H -0.656599 0.026425 -2.787150
H -2.210323 -0.845300 -2.721079
H 2.933336 2.065719 1.124270
H 2.995717 2.744573 -0.520172
H 2.623824 1.279161 -2.535432
H 4.173595 0.475899 -2.164535
H 2.711965 -0.504266 -2.395334
H 5.237254 2.893136 0.666182
H 5.337252 1.936560 -0.822085
H 5.130881 -1.334764 1.443296
H -3.888879 2.584332 -0.280988
H -5.019872 2.534187 -1.696848
H -5.554779 1.966568 -0.093631
H 3.121155 -4.069337 -0.215033
H 4.676785 -3.036436 -0.288948
H -3.613912 1.759106 3.302032
H -3.323654 0.073766 3.788853
H -4.992537 0.738542 3.864144


