%chk=000103553.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103553

0 1
 O    5.035000       1.317800      -1.077900    
 O    8.630400     -0.8153000      2.0700000E-02
 O    7.590100       1.120100      0.7281000    
 C   -1.321500     -0.5465000     -5.2200001E-02
 C   -2.562500      0.3155000      0.1915000    
 C  -3.9400000E-02  0.2783000      7.9499997E-02
 C   -3.847100     -0.5003000      2.8300000E-02
 C    1.235200     -0.5340000     -0.1670000    
 C   -5.087100      0.3706000      0.2398000    
 C    2.516700      0.2964000     -6.0400002E-02
 C   -6.404400     -0.3895000      5.6899998E-02
 C    3.759900     -0.5738000     -0.2868000    
 C   -7.682600      0.4358000      0.2345000    
 C    5.057300      0.2327000     -0.1539000    
 C   -8.963400     -0.3627000     -1.5600000E-02
 C    6.314100     -0.6121000     -0.3708000    
 C   -10.20090      0.5299000      8.5800000E-02
 C   -11.47480     -0.2497000     -0.1986000    
 C    7.566100      1.9800000E-02  0.1913000    
 C    9.878900     -0.3331000      0.5271000    
 H   -1.300400      -1.375200      0.6656000    
 H   -1.369700     -0.9876000      -1.055100    
 H   -2.522700      0.7420000       1.201200    
 H   -2.569500       1.154900     -0.5146000    
 H   6.0999999E-03  0.7195000       1.082900    
 H  -7.2800003E-02   1.113000     -0.6318000    
 H   -3.878100     -0.9412000     -0.9754000    
 H   -3.853300      -1.328900      0.7464000    
 H    1.182700     -0.9890000      -1.164000    
 H    1.276300      -1.358700      0.5554000    
 H   -5.063800       1.211700     -0.4641000    
 H   -5.061600      0.8014000       1.248200    
 H    2.481500       1.107000     -0.7974000    
 H    2.569300      0.7609000      0.9316000    
 H   -6.428000      -1.228300      0.7642000    
 H   -6.412400     -0.8330000     -0.9472000    
 H    3.766600      -1.403900      0.4296000    
 H    3.704400      -1.006400      -1.293700    
 H   -7.647700       1.288600     -0.4548000    
 H   -7.703400      0.8509000       1.249600    
 H    5.075300      0.6715000      0.8516000    
 H   -9.033600      -1.181400      0.7103000    
 H   -8.921200     -0.8172000      -1.012900    
 H    6.195300      -1.579700      0.1304000    
 H    6.475500     -0.7748000      -1.442600    
 H   -10.26190      0.9685000       1.088500    
 H   -10.12270       1.359100     -0.6271000    
 H   -11.60040      -1.069600      0.5158000    
 H   -11.45900     -0.6726000      -1.208200    
 H   -12.34680      0.4069000     -0.1190000    
 H    5.844700       1.838400     -0.9413000    
 H    10.64190      -1.090400      0.3280000    
 H    9.814000     -0.1758000       1.607900    
 H    10.16210      0.5928000      1.7600000E-02


%chk=000103553-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103553

0 1
O 5.140392 1.222453 -1.015082
O 8.728872 -0.799551 0.398896
O 7.826468 1.265066 -0.161304
C -1.319724 -0.509429 -0.176787
C -2.586710 0.324730 0.117869
C -0.005280 0.256982 0.092306
C -3.902040 -0.441852 -0.146672
C 1.262823 -0.576739 -0.198261
C -5.168681 0.392467 0.149175
C 2.571870 0.198639 0.067519
C -6.484117 -0.375908 -0.109848
C 3.836277 -0.642804 -0.207235
C -7.750799 0.458230 0.186866
C 5.135374 0.152931 -0.008501
C -9.066318 -0.312109 -0.066165
C 6.387809 -0.749271 -0.161442
C -10.333071 0.523287 0.228778
C -11.642376 -0.256425 -0.020244
C 7.680386 0.025623 0.014212
C 10.052363 -0.141142 0.557981
H -1.338047 -1.432966 0.439643
H -1.338786 -0.843101 -1.235639
H -2.565678 0.660901 1.175965
H -2.569661 1.246855 -0.500321
H 0.012095 0.592913 1.150547
H 0.014937 1.178821 -0.525647
H -3.923521 -0.777866 -1.204757
H -3.918570 -1.364105 0.471598
H 1.244823 -0.912924 -1.256291
H 1.243718 -1.498752 0.421339
H -5.154023 1.313004 -0.471527
H -5.145078 0.731430 1.206310
H 2.610370 1.105972 -0.563906
H 2.583517 0.545087 1.122849
H -6.498291 -1.296382 0.511055
H -6.508145 -0.715004 -1.166879
H 3.848704 -1.530618 0.458594
H 3.815243 -1.013877 -1.251820
H -7.738756 1.376880 -0.436792
H -7.724716 0.800528 1.242895
H 5.141165 0.596482 1.014133
H -9.080535 -1.229646 0.559149
H -9.093510 -0.656298 -1.121536
H 6.371352 -1.591202 0.553169
H 6.388453 -1.185292 -1.180839
H -10.302722 0.870807 1.281877
H -10.320476 1.437468 -0.399617
H -11.695551 -1.156246 0.621605
H -11.709112 -0.592161 -1.072524
H -12.532128 0.364264 0.193557
H 5.991340 1.729157 -0.896191
H 10.731917 -0.951497 0.854892
H 9.996724 0.639823 1.334213
H 10.366129 0.315667 -0.395267


