%chk=000112165.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112165

0 1
 O    6.144100      -1.996600     -0.8130000    
 O    6.106800      -1.481000       1.393800    
 C   0.8074000      0.1378000     -0.4309000    
 C  -0.5231000      0.7413000      3.1399999E-02
 C    2.034300      0.8820000      0.1018000    
 C   -1.784700     -2.1100000E-02 -0.3921000    
 C    3.358200      0.2311000     -0.3164000    
 C   -3.110900      0.5438000      0.1277000    
 C    4.585700      0.9353000      0.2806000    
 C   -4.339200     -0.2155000     -0.3797000    
 C    5.914300      0.3275000     -0.2036000    
 C   -5.660900      0.3663000      0.1339000    
 C   -6.884800     -0.4437000     -0.3068000    
 C    7.146100       1.126700      0.2581000    
 C   -8.174700      0.1278000      0.2872000    
 C    6.063300      -1.125100      0.2218000    
 C   -9.428300     -0.6315000     -0.1540000    
 C    8.453600      0.6101000     -0.3267000    
 C   -10.70740     -0.1151000      0.4869000    
 H   0.8352000      0.1267000      -1.527300    
 H   0.8535000     -0.9081000     -0.1032000    
 H  -0.5926000       1.771600     -0.3397000    
 H  -0.5146000      0.8079000       1.126900    
 H    1.984300      0.9180000       1.197100    
 H    2.011600       1.919900     -0.2520000    
 H   -1.817600     -5.1300000E-02  -1.488500    
 H   -1.693900      -1.062200     -5.7399999E-02
 H    3.350200     -0.8198000     -3.8999999E-03
 H    3.429900      0.2386000      -1.410900    
 H   -3.100600      0.5278000       1.224400    
 H   -3.190900       1.595900     -0.1722000    
 H    4.554900       1.997000      6.2000002E-03
 H    4.531700      0.8859000       1.375400    
 H   -4.262200      -1.265300     -7.0600003E-02
 H   -4.345300     -0.2071000      -1.476500    
 H    5.903600      0.3488000      -1.302400    
 H   -5.630900      0.4038000       1.230000    
 H   -5.761500       1.400700     -0.2170000    
 H   -6.949100     -0.4423000      -1.401300    
 H   -6.769200      -1.487300      9.4999997E-03
 H    7.024300       2.176100     -3.6400001E-02
 H    7.216100       1.110100       1.352700    
 H   -8.274500       1.181200     -2.4999999E-03
 H   -8.107600      0.1051000       1.382000    
 H   -9.525600     -0.5690000      -1.244300    
 H   -9.315500      -1.693600      9.4599999E-02
 H    8.680200     -0.4020000      2.1800000E-02
 H    9.281900       1.258300     -2.3000000E-02
 H    8.416600      0.5994000      -1.420700    
 H   -10.66030     -0.2018000       1.577000    
 H   -11.56870     -0.6916000      0.1355000    
 H   -10.87350      0.9365000      0.2328000    
 H    6.239400      -2.923000     -0.5051000    


%chk=000112165-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112165

0 1
O 6.223471 -1.991254 -0.940876
O 6.191953 -1.506786 1.326257
C 0.802108 0.065214 -0.344829
C -0.523114 0.680586 0.157827
C 2.056824 0.803314 0.173545
C -1.775437 -0.079072 -0.335074
C 3.379058 0.181872 -0.329270
C -3.102588 0.531311 0.168723
C 4.626854 0.906533 0.222059
C -4.351899 -0.247411 -0.301482
C 5.977132 0.343285 -0.307438
C -5.680236 0.358053 0.205159
C -6.927222 -0.433517 -0.249872
C 7.179195 1.184869 0.211567
C -8.256446 0.167587 0.259637
C 6.136847 -1.100838 0.142946
C -9.501715 -0.632494 -0.186639
C 8.544603 0.737111 -0.351136
C -10.825430 -0.026834 0.328088
H 0.808493 0.064117 -1.455007
H 0.851386 -0.999308 -0.033510
H -0.584026 1.739974 -0.168887
H -0.519997 0.698029 1.267910
H 2.050821 0.799281 1.283514
H 2.009658 1.869205 -0.134040
H -1.779330 -0.099337 -1.445136
H -1.712293 -1.137712 -0.006176
H 3.408807 -0.887234 -0.034836
H 3.398179 0.200618 -1.438649
H -3.090452 0.566942 1.278374
H -3.176184 1.584692 -0.174414
H 4.578730 1.980321 -0.049404
H 4.631793 0.851519 1.328741
H -4.275761 -1.300583 0.042023
H -4.365510 -0.283887 -1.411082
H 5.972687 0.352821 -1.413285
H -5.661353 0.404459 1.314336
H -5.763503 1.407617 -0.147369
H -6.947570 -0.479695 -1.359065
H -6.841782 -1.483174 0.102231
H 6.991355 2.241299 -0.062918
H 7.191234 1.133905 1.317476
H -8.348099 1.214813 -0.097944
H -8.234654 0.219819 1.368538
H -9.523331 -0.683969 -1.294546
H -9.408506 -1.678634 0.170526
H 8.790178 -0.295153 -0.040880
H 9.353959 1.395360 0.013246
H 8.552409 0.767979 -1.456593
H -10.840540 0.009872 1.433889
H -11.698918 -0.618757 -0.002386
H -10.958396 1.007382 -0.042322
H 6.325658 -2.919108 -0.590550


