%chk=000146415.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146415

0 1
 O    1.201400      0.3868000      -2.190300    
 O   0.2220000       3.718500      0.8472000    
 O    4.179100     -0.2331000      0.6450000    
 O    3.963700      0.6293000      -1.490100    
 O   -3.664500      -2.204900      -1.095000    
 O    5.517900     -0.5220000      0.1577000    
 C    1.072300     -3.1399999E-02 -0.8263000    
 C    2.112400      0.7068000      5.7500001E-02
 C    1.918000       2.229700      9.9999998E-03
 C    1.313100      -1.554100     -0.7677000    
 C  -0.3379000      0.3713000     -0.4089000    
 C  -0.5943000       1.621900      0.1751000    
 C    1.140000      -2.069900      0.6546000    
 C   0.4959000       2.606500      0.4003000    
 C    2.901900       2.954400      0.9394000    
 C    3.515900      0.3767000     -0.3796000    
 C    1.305600      -3.597400      0.7579000    
 C   -1.439900     -0.4753000     -0.6431000    
 C   -1.898900       1.988500      0.5485000    
 C   -2.751800     -0.1219000     -0.2767000    
 C   -2.983000       1.126600      0.3326000    
 C   0.3038000      -4.291600     -0.1681000    
 C    1.126000      -4.109300       2.187900    
 C   -3.837600     -0.9844000     -0.5058000    
 C   -4.291500       1.482400      0.7019000    
 C   -5.131500     -0.6182000     -0.1342000    
 C   -5.358100      0.6141000      0.4701000    
 H    1.984600      0.4137000       1.107800    
 H    2.076200       2.605500      -1.009400    
 H   0.6590000      -2.056600      -1.485500    
 H    2.320800      -1.799500      -1.127100    
 H    1.892300      -1.635300       1.319700    
 H   0.1651000      -1.800500       1.073300    
 H    2.768300       2.638500       1.980000    
 H    3.941700       2.767700      0.6540000    
 H    2.750900       4.039200      0.9034000    
 H    2.318500      -3.865600      0.4315000    
 H   -1.263400      -1.431600      -1.122000    
 H    2.062700      8.2900003E-02  -2.522900    
 H   -2.084400       2.957800       1.009000    
 H  -0.7154000      -3.923700     -7.3000002E-03
 H   0.2985000      -5.372700      1.2300000E-02
 H   0.5618000      -4.159100      -1.222700    
 H    1.845500      -3.631800       2.861300    
 H   0.1190000      -3.895500       2.561900    
 H    1.286100      -5.191300       2.239700    
 H   -4.491000       2.442500       1.173200    
 H   -5.966300      -1.290400     -0.3133000    
 H   -6.364600      0.9011000      0.7599000    
 H   -2.931900      -2.167400      -1.729700    
 H    5.348300      -1.456600     -5.1600002E-02


%chk=000146415-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146415

0 1
O 1.246156 0.375835 -2.156096
O 0.285183 3.695270 1.165997
O 4.293048 -0.034965 0.855840
O 4.013320 0.355867 -1.407112
O -3.793205 -2.161228 -1.313106
O 5.713192 -0.380313 0.442169
C 1.084685 -0.064372 -0.747505
C 2.110427 0.710762 0.164573
C 1.913533 2.256796 0.054396
C 1.324067 -1.599376 -0.671178
C -0.341942 0.364232 -0.372165
C -0.592735 1.635516 0.264231
C 1.138667 -2.246797 0.721333
C 0.505048 2.607922 0.557737
C 3.003182 3.074502 0.772190
C 3.518484 0.349722 -0.244605
C 1.212199 -3.799466 0.702981
C -1.431603 -0.454714 -0.673516
C -1.904342 2.009863 0.591796
C -2.779157 -0.086843 -0.362377
C -3.024060 1.178653 0.302689
C 0.011280 -4.433421 -0.041412
C 1.296826 -4.344577 2.148288
C -3.914860 -0.921022 -0.668936
C -4.361036 1.563415 0.647080
C -5.210731 -0.527155 -0.318224
C -5.429829 0.717208 0.342357
H 1.968218 0.404280 1.217228
H 1.917251 2.495189 -1.031336
H 0.659715 -2.074411 -1.415258
H 2.352046 -1.806457 -1.033089
H 1.923422 -1.874634 1.410226
H 0.164325 -1.943929 1.154649
H 3.111123 2.761907 1.826357
H 3.981889 2.961889 0.273167
H 2.728954 4.141525 0.769139
H 2.143122 -4.091895 0.170821
H -1.228448 -1.414237 -1.163179
H 2.208681 0.271719 -2.402497
H -2.054171 2.981452 1.076293
H -0.940865 -4.161049 0.454888
H 0.086238 -5.536313 -0.037587
H -0.043005 -4.113268 -1.098783
H 2.180994 -3.943175 2.677469
H 0.397198 -4.060957 2.728234
H 1.367873 -5.447892 2.156232
H -4.527540 2.522391 1.148664
H -6.045263 -1.189048 -0.566602
H -6.453504 1.003820 0.604389
H -2.868299 -2.334420 -1.616037
H 5.666551 -0.222503 -0.565410


