%chk=000161176.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161176

0 1
 O  -0.7959000      0.6770000       1.463600    
 O    1.629500     -0.1873000       2.669600    
 O    2.035100       2.974300      0.9342000    
 O   -4.552700     -0.2601000      -1.118700    
 O   0.8315000       3.047200      -1.464100    
 O    4.276000     -0.8669000      -2.125500    
 O    4.526500      -2.715500     -6.7800000E-02
 C    1.208100       1.856400      0.6074000    
 C   0.2346000       1.628700       1.765600    
 C    2.091500      0.6433000      0.4104000    
 C   0.4136000       2.259800     -0.6213000    
 C   -1.435000      0.8829000      0.2790000    
 C    1.008400       1.070400       2.958500    
 C  -0.9168000       1.640300     -0.7735000    
 C   -2.662600      0.2696000      9.5700003E-02
 C   -3.413000     -0.6411000      0.9929000    
 C    2.251900     -0.2846000       1.451900    
 C   -4.764700     -0.6542000      0.2615000    
 C   -3.361500      0.4196000      -1.092900    
 C   -1.631100       1.791400      -1.977500    
 C    2.796500      0.4325000     -0.7861000    
 C   -2.870100       1.170200      -2.142800    
 C    3.060500      -1.413300       1.280800    
 C   -5.432700      -1.987400      0.2822000    
 C    3.610700     -0.6896000     -0.9499000    
 C    3.738900      -1.614600      8.1299998E-02
 C   -5.055200      -2.933600     -0.8188000    
 C   -6.319700      -2.321400       1.231300    
 C    3.603900      -1.602400      -3.146000    
 C    5.893900      -2.592000      0.3190000    
 H  -0.2476000       2.566900       2.073500    
 H    1.775200       1.769600       3.312100    
 H   0.3203000      0.8881000       3.791600    
 H   -2.931400      -1.624600       1.019600    
 H   -3.514000     -0.2537000       2.011200    
 H   -5.426500      0.1078000      0.6989000    
 H   -1.226600       2.377700      -2.798500    
 H    2.719200       1.146600      -1.602300    
 H    1.460400       3.719900       1.178600    
 H   -3.422700       1.274300      -3.069900    
 H    3.164400      -2.134500       2.088300    
 H   -5.407400      -2.567900      -1.788600    
 H   -3.969000      -3.063800     -0.8638000    
 H   -5.493500      -3.926300     -0.6676000    
 H   -6.801200      -3.293400       1.238300    
 H   -6.582700      -1.628800       2.024100    
 H    3.381700      -2.618700      -2.805900    
 H    4.263000      -1.661200      -4.016400    
 H    2.680100      -1.093800      -3.439800    
 H    6.393300      -1.817800     -0.2720000    
 H    6.390200      -3.548400      0.1331000    
 H    5.970900      -2.358900       1.385800    


%chk=000161176-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161176

0 1
O -0.876872 0.899300 1.657099
O 1.588090 -0.066754 2.883239
O 2.098332 3.117721 1.189480
O -4.576394 -0.090991 -1.106314
O 0.971534 3.264459 -1.270051
O 3.954832 -0.932291 -2.168902
O 4.273478 -2.833566 0.035052
C 1.209381 2.013904 0.795950
C 0.240132 1.829771 1.984284
C 1.988904 0.722529 0.551194
C 0.421557 2.441006 -0.467726
C -1.477985 1.060486 0.407817
C 0.972358 1.238890 3.181686
C -0.895559 1.838431 -0.649376
C -2.709000 0.425760 0.199399
C -3.533899 -0.465327 1.104148
C 2.153619 -0.218533 1.605146
C -4.841115 -0.711512 0.271652
C -3.361171 0.579870 -1.042952
C -1.599269 1.977602 -1.883283
C 2.602255 0.447397 -0.694868
C -2.834818 1.353651 -2.106539
C 2.920972 -1.388681 1.417255
C -5.239771 -2.162787 0.086641
C 3.356018 -0.719698 -0.901182
C 3.536765 -1.638323 0.178280
C -4.292301 -3.039987 -0.705974
C -6.397722 -2.615990 0.633867
C 3.386727 -2.078510 -2.916304
C 5.705194 -2.649174 -0.306852
H -0.190424 2.815528 2.248132
H 1.759143 1.953326 3.489935
H 0.283300 1.041069 4.017083
H -3.008487 -1.410580 1.330761
H -3.766597 0.012856 2.070967
H -5.688374 -0.133881 0.680769
H -1.127893 2.584598 -2.663247
H 2.493195 1.142877 -1.533724
H 2.294204 3.616134 0.344159
H -3.376752 1.452158 -3.049680
H 3.055032 -2.094193 2.241199
H -4.218132 -2.674848 -1.746954
H -3.267412 -3.024990 -0.287674
H -4.638450 -4.086549 -0.726982
H -6.694142 -3.667879 0.558752
H -7.080593 -1.950068 1.175598
H 3.493244 -3.016512 -2.340822
H 3.962026 -2.134143 -3.853150
H 2.318495 -1.895379 -3.140491
H 5.817675 -2.053183 -1.229585
H 6.103502 -3.665470 -0.446942
H 6.229365 -2.150822 0.530330


