%chk=000090981.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090981

0 1
 O    1.581700      -1.554900       1.444000    
 O    1.186200       3.087600      0.3550000    
 O    4.206800      -2.009000      0.5309000    
 O    4.914800      0.8178000     -0.2217000    
 O   -1.636700       2.947400     -0.2259000    
 O   -5.446200      -1.941900      0.3275000    
 C   0.9281000     -0.4408000     -0.6644000    
 C    1.890500      -1.449800      4.9400002E-02
 C    1.320900      0.9206000     -0.2070000    
 C    3.382800      -1.040300     -0.1231000    
 C  -0.5822000     -0.5728000     -0.3458000    
 C    3.727500      0.3685000      0.4328000    
 C    2.596600       1.321000      0.2522000    
 C    1.081900     -0.5433000      -2.199900    
 C   -1.465800      0.5516000     -0.1948000    
 C   0.4951000       1.994500     -5.2299999E-02
 C  -0.9226000       1.957300     -0.1797000    
 C   -2.831000      0.3300000     -4.6999999E-03
 C   -1.137900      -1.876600     -0.3076000    
 C    2.474600       2.664800      0.5450000    
 C   -3.306600     -0.9770000      3.4000002E-02
 C   -3.937400       1.324300      0.1909000    
 C   -2.501200      -2.088500     -0.1103000    
 C   -5.207900      0.4775000      0.3653000    
 C   -4.744500     -0.9498000      0.2509000    
 C    3.932600      -3.317900      5.9300002E-02
 H    1.711500      -2.439900     -0.3805000    
 H    3.647800      -1.068600      -1.188000    
 H    3.966600      0.2948000       1.500200    
 H    2.091900     -0.2854000      -2.535500    
 H   0.8595000      -1.556700      -2.553700    
 H   0.3990000      0.1401000      -2.720800    
 H  -0.5074000      -2.750000     -0.4547000    
 H    3.155100       3.413700      0.9234000    
 H   -3.764500       1.935200       1.083000    
 H   -4.038100       1.976800     -0.6825000    
 H   0.7261000      -2.005100       1.532900    
 H   -2.905200      -3.094300     -8.3099999E-02
 H   -5.937000      0.6962000     -0.4204000    
 H   -5.659000      0.6437000       1.348000    
 H    4.717500      0.9149000      -1.169200    
 H    4.801600      -3.939700      0.2971000    
 H    3.792700      -3.351700      -1.026400    
 H    3.081700      -3.758600      0.5868000    


%chk=000090981-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090981

0 1
O 1.599436 -1.426101 1.571152
O 1.264417 3.138414 0.347545
O 4.205989 -2.063696 0.535933
O 5.026854 0.725654 -0.148394
O -1.718200 2.998788 -0.121448
O -5.635979 -1.959166 0.306488
C 0.868174 -0.436003 -0.607449
C 1.809264 -1.457927 0.124612
C 1.321916 0.922750 -0.177016
C 3.314712 -1.111043 -0.112588
C -0.635157 -0.594688 -0.290066
C 3.746035 0.283865 0.431316
C 2.641299 1.295231 0.239017
C 1.002162 -0.593426 -2.165350
C -1.489413 0.558992 -0.168793
C 0.498532 2.027359 -0.069993
C -0.955855 1.982269 -0.146619
C -2.889403 0.344263 -0.011828
C -1.188261 -1.902161 -0.239915
C 2.570392 2.653061 0.538427
C -3.403005 -0.974736 0.041502
C -4.013945 1.365186 0.128812
C -2.569707 -2.106950 -0.063235
C -5.310424 0.522457 0.289258
C -4.882245 -0.953313 0.223105
C 4.283584 -3.367262 -0.119231
H 1.626831 -2.479226 -0.275998
H 3.490776 -1.132157 -1.213475
H 3.976684 0.155648 1.501727
H 2.017873 -0.343893 -2.516482
H 0.768568 -1.631467 -2.465076
H 0.292305 0.078141 -2.677099
H -0.526617 -2.768654 -0.351747
H 3.291627 3.381228 0.898347
H -3.828200 2.036667 0.985172
H -4.042614 2.034051 -0.748491
H 0.647391 -1.627472 1.764013
H -3.004899 -3.110549 -0.011056
H -6.052891 0.723130 -0.504382
H -5.823528 0.708123 1.250519
H 4.873072 0.990607 -1.092403
H 5.109435 -3.899695 0.377025
H 4.511319 -3.263916 -1.202358
H 3.351597 -3.956684 0.003120


