%chk=000183742.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183742

0 1
O -0.378528 0.295472 -0.320964
C 5.987911 0.108344 0.417623
C 5.250119 0.660511 -0.825853
C 7.473210 0.524713 0.366553
C 5.803985 -1.417167 0.556847
C 3.756797 0.596327 -0.668133
C -6.720225 -0.408473 -0.168947
C 8.203638 0.254119 1.679614
C 6.431148 -2.240065 -0.565511
C -5.276616 0.022073 0.000819
C -7.125083 -1.441270 0.905986
C 3.080939 1.578258 0.066035
C 3.022871 -0.453687 -1.254773
C -7.649399 0.811882 -0.129966
C 0.986240 0.483624 -0.373037
C 1.690471 1.535131 0.222393
C 1.642327 -0.520781 -1.115614
C -4.849180 0.686527 1.161621
C -4.345904 -0.246240 -1.014365
C -2.593673 0.810808 0.284422
C -6.351420 -2.748944 0.765825
C -1.168483 1.263413 0.437165
C -3.516886 1.075401 1.306785
C -3.013449 0.147700 -0.876089
H 5.528744 0.579334 1.324048
H 5.560344 1.709200 -1.009853
H 5.573286 0.102782 -1.727721
H 7.546044 1.603472 0.125098
H 7.983872 -0.003244 -0.461967
H 4.718332 -1.638903 0.613357
H 6.226431 -1.740774 1.528743
H -6.837945 -0.895520 -1.171732
H 9.244561 0.592149 1.629183
H 8.217665 -0.815937 1.918922
H 7.729672 0.771848 2.520970
H 6.223836 -3.307625 -0.433186
H 7.520065 -2.116670 -0.594254
H 6.041335 -1.947065 -1.546994
H -6.967481 -1.018431 1.916813
H -8.211931 -1.639796 0.828918
H 3.640287 2.392139 0.526653
H 3.544291 -1.224911 -1.822004
H -7.654720 1.293166 0.853938
H -8.681838 0.533231 -0.366189
H -7.336053 1.568293 -0.859379
H -5.560962 0.897092 1.957861
H -4.658930 -0.765806 -1.918454
H 1.190318 2.307553 0.794485
H 1.059499 -1.323861 -1.559657
H -5.268644 -2.583611 0.843892
H -6.537454 -3.230817 -0.200231
H -6.631337 -3.461575 1.549260
H -0.823960 1.244332 1.486707
H -1.013067 2.265755 -0.004852
H -3.200204 1.582741 2.215843
H -2.287663 -0.067717 -1.662853


%chk=000183742-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183742

0 1
O -0.363811 0.026341 -0.366442
C 6.160029 0.234383 0.426107
C 5.358364 0.722698 -0.824937
C 7.640647 0.689187 0.309437
C 5.998241 -1.291837 0.680140
C 3.849904 0.564323 -0.700507
C -6.921668 -0.286564 -0.169531
C 8.511724 0.354606 1.539810
C 6.644102 -2.213670 -0.380264
C -5.428685 0.010562 -0.005124
C -7.438361 -1.324626 0.870364
C 3.093496 1.438190 0.118544
C 3.149447 -0.468335 -1.380690
C -7.761831 1.017270 -0.105331
C 1.021829 0.263194 -0.426769
C 1.694487 1.301136 0.265231
C 1.756008 -0.623660 -1.251109
C -4.915143 0.553231 1.202031
C -4.512739 -0.244588 -1.056608
C -2.635422 0.585516 0.284768
C -6.765222 -2.708625 0.755839
C -1.173603 0.955621 0.437864
C -3.539673 0.830538 1.347574
C -3.135951 0.040392 -0.920832
H 5.724935 0.751714 1.309988
H 5.606197 1.792060 -0.983725
H 5.721186 0.183365 -1.721517
H 7.652998 1.787146 0.148592
H 8.095214 0.244231 -0.599153
H 4.916923 -1.520670 0.748659
H 6.426237 -1.534631 1.672653
H -7.064587 -0.732247 -1.176110
H 9.523385 0.789580 1.439063
H 8.630874 -0.735815 1.674267
H 8.061570 0.759493 2.466393
H 6.462742 -3.275386 -0.130980
H 7.738460 -2.067879 -0.439232
H 6.227253 -2.036227 -1.388951
H -7.288321 -0.920264 1.892051
H -8.533892 -1.431921 0.736856
H 3.603734 2.251079 0.650890
H 3.705659 -1.159983 -2.025404
H -7.673180 1.498035 0.886998
H -8.832237 0.801548 -0.281965
H -7.425221 1.747411 -0.863126
H -5.592617 0.752803 2.041288
H -4.884237 -0.673674 -1.995677
H 1.151783 2.000173 0.908493
H 1.217994 -1.418406 -1.777282
H -5.674357 -2.636175 0.915267
H -6.929646 -3.147696 -0.246676
H -7.173114 -3.413458 1.503558
H -0.866827 0.903450 1.503011
H -0.991285 1.991600 0.076555
H -3.167379 1.238535 2.296275
H -2.439209 -0.174574 -1.736819


