%chk=000158121.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158121

0 1
 O   8.2800001E-02   1.347300     -0.3054000    
 O    1.285200       3.077700      0.6476000    
 C    3.468300      0.9017000      0.6592000    
 C    2.571900     -0.1431000      8.8000000E-02
 C    2.425100       1.273600     -0.3534000    
 C    3.251900       1.263800       2.090200    
 C    4.896400      0.9859000      0.2334000    
 C    3.107900      -1.116300     -0.8828000    
 C    1.215400       2.009400      5.7000000E-02
 C    3.722300      -2.286300     -0.6228000    
 C    4.214200      -3.170600      -1.734700    
 C    3.970500      -2.809800      0.7635000    
 C   -1.145000       1.989000      5.3599998E-02
 C   -2.293900       1.142800     -0.4105000    
 C   -2.817600      0.1700000      0.4336000    
 C   -2.824200       1.339600      -1.680500    
 C   -3.885700     -0.6162000      1.8000000E-03
 C   -4.453500      -1.662000      0.9006000    
 C   -3.892200      0.5532000      -2.112300    
 C   -4.423000     -0.4246000      -1.271100    
 C   -5.048900      -1.069000       2.191700    
 C   -3.427700      -2.756000       1.253200    
 H    1.793900     -0.5541000      0.7244000    
 H    2.780200       1.547300      -1.342800    
 H    2.222300       1.098600       2.426700    
 H    3.897200      0.6581000       2.736500    
 H    3.498500       2.316600       2.264800    
 H    5.498900      0.2334000      0.7539000    
 H    5.035200      0.8411000     -0.8436000    
 H    5.308700       1.971600      0.4766000    
 H    2.971300     -0.8461000      -1.929000    
 H    5.296000      -3.317700      -1.651100    
 H    3.725000      -4.149000      -1.685400    
 H    4.012000      -2.747200      -2.724200    
 H    3.476700      -3.778200      0.8953000    
 H    5.044600      -2.943100      0.9292000    
 H    3.597700      -2.140700       1.544400    
 H   -1.193400       2.982000     -0.4108000    
 H   -1.187800       2.123800       1.141700    
 H   -2.389500      2.7899999E-02   1.422400    
 H   -2.417000       2.096900      -2.344700    
 H   -5.279400      -2.166400      0.3806000    
 H   -4.310200      0.7021000      -3.103700    
 H   -5.255100      -1.028500      -1.623500    
 H   -4.281600     -0.6078000       2.822700    
 H   -5.540200      -1.850400       2.781800    
 H   -5.797000     -0.3030000       1.958900    
 H   -3.009200      -3.203900      0.3450000    
 H   -3.902500      -3.554400       1.833700    
 H   -2.595800      -2.361800       1.846700    


%chk=000158121-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158121

0 1
O 0.216345 0.063805 -1.065096
O 0.370960 1.813744 0.477652
C 2.285786 -1.374903 0.816181
C 2.913303 -0.866642 -0.494797
C 2.118148 0.128599 0.416703
C 1.098779 -2.331204 0.721021
C 3.174699 -1.634264 2.033112
C 4.374229 -0.684821 -0.695278
C 0.844991 0.757028 -0.014704
C 5.061844 -0.807814 -1.870389
C 6.566650 -0.597661 -1.913486
C 4.434072 -1.152007 -3.209481
C -1.107578 0.618005 -1.530230
C -2.262670 -0.012236 -0.783351
C -2.723834 0.554493 0.429754
C -2.889031 -1.179914 -1.289007
C -3.793751 -0.027512 1.155812
C -4.283944 0.591830 2.467757
C -3.956249 -1.770264 -0.579593
C -4.402559 -1.197213 0.633851
C -4.856914 2.017225 2.244058
C -3.164060 0.611333 3.542529
H 2.342762 -1.155893 -1.383067
H 2.715232 0.823470 1.016348
H 0.469394 -2.122789 -0.158464
H 1.466027 -3.372783 0.651469
H 0.460304 -2.256743 1.622015
H 3.645053 -2.633155 1.958708
H 3.981673 -0.889256 2.142037
H 2.570243 -1.609794 2.958872
H 4.954771 -0.422168 0.201705
H 7.085140 -1.504535 -2.285055
H 6.833408 0.224389 -2.607833
H 6.978144 -0.352510 -0.918873
H 4.651809 -0.359801 -3.953285
H 4.865459 -2.089818 -3.613489
H 3.340497 -1.275802 -3.161722
H -1.118192 0.357980 -2.600572
H -1.078585 1.712647 -1.393925
H -2.220909 1.452358 0.808358
H -2.539602 -1.622172 -2.230153
H -5.107604 -0.044563 2.850529
H -4.442692 -2.671520 -0.969579
H -5.233410 -1.660139 1.181266
H -4.074136 2.704314 1.872869
H -5.248024 2.431265 3.192105
H -5.677399 2.007283 1.503985
H -2.782123 -0.406686 3.739944
H -3.545682 1.029363 4.492745
H -2.311074 1.234650 3.216444


