%chk=000089195.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089195

0 1
 O    4.942400       1.707200      0.5017000    
 O   -4.256400      0.8167000      -1.154300    
 O   -5.680100     -0.1871000      0.3975000    
 C    2.938700      0.5858000     -0.3824000    
 C    2.334900     -0.8133000     -0.1049000    
 C   0.8041000     -0.8650000     -0.2521000    
 C   7.8400001E-02  0.2207000      0.5774000    
 C    4.372000      0.4366000      0.2171000    
 C    2.130300       1.696800      0.3475000    
 C    2.887100      -1.209100       1.277600    
 C   0.6135000       1.600300      0.1530000    
 C    4.135900     -0.3512000       1.515600    
 C   0.2246000      -2.241600      7.6099999E-02
 C   -1.441600      8.2900003E-02  0.4922000    
 C    2.957600      0.9147000      -1.889600    
 C   -1.252100      -2.292200     -0.3139000    
 C   -2.033200      -1.054400      6.2799998E-02
 C   -2.259000       1.262600      0.9724000    
 C   -3.534000      -1.204800     -6.4700000E-02
 C    5.300100     -0.3103000     -0.6564000    
 C   -3.734900      0.9452000       1.212000    
 C   -4.321000      0.1046000      7.9999998E-02
 C    6.054000     -0.9178000      -1.366100    
 C   -4.969300       2.041800      -1.081600    
 C   -6.291900     -0.9691000     -0.6169000    
 H    2.751800      -1.528000     -0.8301000    
 H   0.5888000     -0.6744000      -1.314800    
 H   0.3233000      8.8299997E-02   1.640100    
 H    2.467100       2.686400      1.2700000E-02
 H    2.324500       1.667500       1.426600    
 H    3.140200      -2.275400       1.292900    
 H    2.170700      -1.041700       2.087500    
 H   0.1541000       2.393000      0.7551000    
 H   0.3450000       1.810200     -0.8890000    
 H    3.964000      0.3275000       2.360300    
 H    4.992800     -0.9740000       1.799000    
 H   0.3270000      -2.454700       1.147600    
 H   0.7667000      -3.029800     -0.4596000    
 H    3.416100      0.1156000      -2.481100    
 H    1.948300       1.049700      -2.290300    
 H    3.513100       1.838600      -2.084600    
 H   -1.703100      -3.174000      0.1570000    
 H   -1.332800      -2.432500      -1.399300    
 H   -1.839900       1.638500       1.913800    
 H   -2.177300       2.070400      0.2357000    
 H   -3.737000      -1.646700      -1.049200    
 H   -3.866300      -1.928400      0.6915000    
 H    4.995200       2.209400     -0.3292000    
 H   -3.832600      0.3839000       2.152700    
 H   -4.294400       1.870300       1.389900    
 H    6.722000      -1.456800      -1.996100    
 H   -4.380500       2.812600     -0.5767000    
 H   -5.957200       1.949100     -0.6211000    
 H   -5.121700       2.389600      -2.108300    
 H   -6.160700     -0.5547000      -1.620600    
 H   -7.366700     -0.9865000     -0.4108000    
 H   -5.947700      -2.006700     -0.5821000    


%chk=000089195-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089195

0 1
O 4.993707 1.770285 0.620056
O -4.340046 0.814513 -1.161924
O -5.727767 -0.181626 0.540374
C 2.960746 0.584287 -0.410000
C 2.357681 -0.828683 -0.100957
C 0.822813 -0.885296 -0.293111
C 0.089412 0.209628 0.524307
C 4.391694 0.462153 0.266942
C 2.146056 1.703042 0.310421
C 2.886843 -1.208434 1.324778
C 0.620214 1.599972 0.074919
C 4.109624 -0.285177 1.602636
C 0.215946 -2.273187 -0.001612
C -1.432928 0.066385 0.442726
C 3.040612 0.888304 -1.921739
C -1.258085 -2.301402 -0.457639
C -2.037475 -1.065263 -0.024585
C -2.257225 1.249957 0.937196
C -3.548599 -1.208562 -0.162190
C 5.341357 -0.296564 -0.578431
C -3.714551 0.873125 1.267974
C -4.344031 0.078730 0.115782
C 6.166037 -0.902776 -1.266771
C -5.010160 2.121933 -1.127885
C -6.515080 -1.002064 -0.390674
H 2.805591 -1.542201 -0.824784
H 0.621190 -0.665710 -1.365925
H 0.373599 0.101496 1.598126
H 2.519164 2.690216 -0.021243
H 2.331817 1.663326 1.400464
H 3.171649 -2.274384 1.356529
H 2.108819 -1.064491 2.096461
H 0.123455 2.411682 0.638968
H 0.368578 1.756876 -0.993544
H 3.880896 0.481541 2.363329
H 4.997213 -0.838610 1.948619
H 0.276177 -2.485323 1.084630
H 0.791928 -3.065388 -0.520275
H 3.545522 0.075360 -2.472635
H 2.034477 1.021679 -2.356526
H 3.600670 1.825879 -2.108888
H -1.764686 -3.206779 -0.061724
H -1.306213 -2.394422 -1.564844
H -1.782690 1.681814 1.841905
H -2.242522 2.053819 0.172460
H -3.785200 -1.556936 -1.187554
H -3.909189 -1.994014 0.534351
H 5.377599 2.173748 -0.200647
H -3.747236 0.231445 2.167516
H -4.322817 1.769201 1.485569
H 6.884184 -1.436314 -1.861688
H -4.400488 2.882997 -0.601354
H -6.002131 2.049674 -0.643310
H -5.124944 2.418913 -2.182601
H -6.445632 -0.611307 -1.423513
H -7.554388 -0.940028 -0.031015
H -6.188284 -2.060738 -0.377952


