%chk=000157339.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157339

0 1
 O    2.624900     -0.9954000     -0.4386000    
 O  -0.4833000      0.9549000      3.3300001E-02
 O  -0.9801000      -4.182900      0.1098000    
 O    3.508400      -5.644900     -0.4852000    
 O    4.057100       3.145600       2.319900    
 O   -1.746400      0.4718000       1.896200    
 O    4.356900       4.962400      0.2376000    
 O   -4.327600      0.1107000       1.127500    
 O   -4.057500      -1.464700     -0.5827000    
 C   0.4414000     -9.9600002E-02  0.2786000    
 C    1.664400      5.4699998E-02 -0.6363000    
 C  -0.2442000      -1.431200     -1.5600000E-02
 C   0.7581000      -2.538300     -0.1402000    
 C    2.113000      -2.262500     -0.3537000    
 C    2.386700       1.367900     -0.3989000    
 C   0.3359000      -3.872800     -7.1199998E-02
 C    3.036700      -3.306200     -0.4573000    
 C    2.897100       1.660800      0.8638000    
 C    2.535800       2.276600      -1.444300    
 C    1.257500      -4.913600     -0.1869000    
 C    2.608100      -4.630200     -0.3759000    
 C   -1.627400      0.9269000      0.7692000    
 C    3.560100       2.868400       1.082100    
 C    3.198800       3.484100      -1.226100    
 C    3.711000       3.780000      3.7200000E-02
 C   -2.751600       1.534500      1.3400000E-02
 C   -4.042600       1.096600      0.2307000    
 C   -2.459700       2.533100     -0.8952000    
 C   -5.084600       1.680400     -0.4897000    
 C   -3.501800       3.116800      -1.615600    
 C   -4.814200       2.690500      -1.412900    
 C   -4.303100      -1.182800      0.5827000    
 C   -4.627900      -2.191800       1.644100    
 H   0.7520000     -8.1900001E-02   1.332200    
 H    1.341500      2.0900000E-02  -1.686800    
 H  -0.8206000      -1.366500     -0.9479000    
 H  -0.9558000      -1.668500      0.7835000    
 H    4.089900      -3.080400     -0.6077000    
 H    2.792900      0.9493000       1.678800    
 H    2.141400       2.060500      -2.433400    
 H   0.9304000      -5.949000     -0.1297000    
 H    3.309000       4.185300      -2.048900    
 H   -1.080700      -5.149900      0.1322000    
 H    4.395600      -5.267300     -0.6130000    
 H   -1.449700       2.895300      -1.063200    
 H    3.858900       2.402500       2.915400    
 H    4.365200       5.464100     -0.5956000    
 H   -6.109800       1.354200     -0.3366000    
 H   -3.292000       3.905700      -2.332000    
 H   -5.625700       3.145700      -1.973200    
 H   -3.886100      -2.135700       2.444600    
 H   -4.598700      -3.195600       1.211100    
 H   -5.631800      -2.007300       2.034100    


%chk=000157339-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157339

0 1
O 2.745234 -1.183453 -0.240246
O -0.704443 0.172136 -0.725239
O -0.195062 -4.984444 -0.976193
O 4.536562 -5.698134 -0.146152
O 3.042053 3.028193 2.739906
O -1.896727 -0.117132 1.253777
O 3.007654 5.050546 0.950484
O -4.426928 1.121669 1.337495
O -4.669267 -1.018518 0.400295
C 0.323321 -0.776315 -0.223860
C 1.682896 -0.277450 -0.771885
C -0.000634 -2.186295 -0.741174
C 1.215307 -3.087969 -0.619939
C 2.506951 -2.568285 -0.368016
C 2.048368 1.126698 -0.349784
C 1.099503 -4.497814 -0.718364
C 3.639613 -3.397725 -0.200703
C 2.381203 1.398809 1.000498
C 2.043510 2.184427 -1.282701
C 2.203268 -5.360744 -0.560883
C 3.470047 -4.794040 -0.295960
C -1.791136 0.426186 0.126429
C 2.698108 2.705517 1.420468
C 2.355435 3.499090 -0.868940
C 2.683032 3.772787 0.476365
C -2.736857 1.405672 -0.479508
C -3.991424 1.712720 0.124562
C -2.378629 2.106668 -1.664268
C -4.841346 2.692534 -0.425740
C -3.226112 3.083216 -2.220003
C -4.460039 3.382024 -1.594875
C -4.630065 -0.296347 1.408389
C -4.789645 -0.697669 2.849631
H 0.327913 -0.745149 0.880824
H 1.676031 -0.359431 -1.877825
H -0.328411 -2.112527 -1.796869
H -0.850580 -2.614402 -0.182034
H 4.614453 -2.936018 -0.011420
H 2.420117 0.572273 1.721819
H 1.797283 1.988569 -2.331997
H 2.109916 -6.449017 -0.637444
H 2.350039 4.319141 -1.598752
H -0.202397 -5.973253 -0.994286
H 5.380765 -5.215828 0.034757
H -1.417117 1.873903 -2.127903
H 3.005712 2.219933 3.310232
H 2.962846 5.710719 0.214322
H -5.793019 2.896501 0.073547
H -2.927354 3.611408 -3.131072
H -5.124918 4.142922 -2.017345
H -3.785020 -0.698604 3.309470
H -5.223146 -1.706028 2.915334
H -5.411061 0.029532 3.396476


