%chk=000176094.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176094

0 1
 O    4.167100       1.936800      0.3376000    
 O   -6.283700      0.1496000      8.0000004E-03
 C    1.645400     -0.4149000     -0.5939000    
 C    2.209500      0.5217000      0.5025000    
 C   0.1173000     -0.6550000     -0.5458000    
 C  -0.6450000      0.6930000     -0.5439000    
 C    1.415200       1.851600      0.4363000    
 C    2.461500      -1.705600     -0.7318000    
 C  -0.1036000       1.668900      0.5173000    
 C    4.610200     -0.3705000     -0.2410000    
 C    3.696000      0.8063000      0.1754000    
 C  -0.3842000      -1.563800      0.5828000    
 C    3.884400      -1.363300      -1.168600    
 C    2.161400     -1.6100001E-02   1.945500    
 C   -2.147300      0.5142000     -0.3917000    
 C   -1.860200      -1.898500      0.3735000    
 C   -2.708700     -0.6906000      7.1300000E-02
 C    5.822200      0.1971000      -1.010700    
 C    5.145100      -1.079400       1.012200    
 C   -3.000900       1.584400     -0.7133000    
 C   -4.103300     -0.8010000      0.1953000    
 C   -4.383500       1.464800     -0.5763000    
 C   -4.934700      0.2721000     -0.1211000    
 C   -6.780200      -1.101900      0.4805000    
 H    1.798800      0.1181000      -1.548300    
 H  -0.1405000      -1.165900      -1.487100    
 H  -0.4754000       1.148800      -1.530800    
 H    1.649900       2.373700     -0.5018000    
 H    1.734700       2.526100       1.241500    
 H    2.011000      -2.350700      -1.496100    
 H    2.475300      -2.286600      0.1944000    
 H  -0.3928000       1.338300       1.521600    
 H  -0.5698000       2.654600      0.3905000    
 H  -0.2767000      -1.082000       1.557300    
 H   0.1842000      -2.498800      0.6221000    
 H    4.464900      -2.290000      -1.261100    
 H    3.829000     -0.9414000      -2.181900    
 H    2.930700      0.4578000       2.567500    
 H    1.209800      0.1839000       2.443100    
 H    2.323300      -1.094300       2.000500    
 H   -2.234200      -2.402500       1.273000    
 H   -1.957800      -2.601800     -0.4631000    
 H    6.431900      0.8497000     -0.3748000    
 H    6.470600     -0.6058000      -1.379500    
 H    5.499700      0.7923000      -1.872900    
 H    5.950800      -1.777400      0.7569000    
 H    5.544400     -0.3583000       1.734700    
 H    4.374800      -1.661000       1.523300    
 H   -2.588800       2.523100      -1.076500    
 H   -4.482000      -1.758200      0.5404000    
 H   -5.023600       2.305300     -0.8296000    
 H   -6.552400      -1.914700     -0.2176000    
 H   -7.871000      -1.019000      0.5281000    
 H   -6.432000      -1.316000       1.496700    


%chk=000176094-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176094

0 1
O 4.202675 1.968619 0.364552
O -6.381292 0.236094 -0.019002
C 1.667080 -0.447940 -0.579409
C 2.236611 0.524506 0.511133
C 0.130774 -0.692877 -0.516774
C -0.637794 0.660516 -0.527221
C 1.432015 1.858455 0.444554
C 2.511213 -1.734885 -0.698100
C -0.091076 1.630478 0.564032
C 4.675220 -0.338359 -0.282091
C 3.733681 0.810123 0.190299
C -0.391331 -1.606054 0.620270
C 3.933829 -1.378717 -1.179921
C 2.193390 -0.018209 1.979188
C -2.150375 0.471343 -0.394070
C -1.867630 -1.969141 0.354760
C -2.730553 -0.746496 0.050308
C 5.863022 0.269847 -1.070965
C 5.247842 -1.042418 0.991267
C -3.015231 1.556159 -0.705030
C -4.140670 -0.851744 0.187507
C -4.409647 1.458370 -0.578677
C -4.977864 0.242353 -0.122978
C -7.016657 -0.995084 0.450930
H 1.816482 0.098025 -1.542175
H -0.121688 -1.221415 -1.464405
H -0.437131 1.147873 -1.507151
H 1.654367 2.362143 -0.517697
H 1.784545 2.543398 1.236707
H 2.039113 -2.422983 -1.427877
H 2.549741 -2.281950 0.263590
H -0.356502 1.242413 1.567198
H -0.611771 2.603433 0.476816
H -0.310503 -1.102582 1.599967
H 0.211081 -2.532293 0.679425
H 4.564259 -2.287538 -1.249938
H 3.859247 -0.966420 -2.207227
H 2.919856 0.529310 2.606911
H 1.196371 0.140150 2.421164
H 2.421851 -1.094574 2.050609
H -2.290701 -2.519969 1.217233
H -1.915712 -2.664825 -0.510116
H 6.440504 0.967783 -0.442459
H 6.533799 -0.538328 -1.418539
H 5.508676 0.832388 -1.953441
H 6.026690 -1.763122 0.678965
H 5.713860 -0.305756 1.670119
H 4.478770 -1.596772 1.553981
H -2.579705 2.498379 -1.061233
H -4.563717 -1.800050 0.537236
H -5.072393 2.294278 -0.821582
H -6.809704 -1.843284 -0.231122
H -8.095491 -0.779664 0.455821
H -6.684625 -1.255784 1.475258


