%chk=000180391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180391

0 1
O -1.182160 1.771308 -0.523029
O -4.383749 -0.170794 0.912862
C 4.982164 0.062656 0.048000
C 4.468815 1.484092 -0.283096
C 4.744713 -0.891851 -1.139774
C 6.464269 0.104749 0.479320
C 2.967746 1.557125 -0.308196
C 4.948899 -2.358068 -0.766215
C 7.417408 0.657075 -0.577282
C 2.240081 1.565395 0.888636
C 2.278095 1.620506 -1.534498
C 0.842635 1.635655 0.884252
C 0.890368 1.691051 -1.567895
C 0.183159 1.697024 -0.348032
C -2.029965 1.785653 0.667697
C -3.440472 1.804772 0.086599
C -3.914667 0.419560 -0.341030
C -4.838554 -1.468947 0.893185
C -4.894406 -2.291123 -0.238566
C -5.262942 -1.916909 2.162617
C -5.387839 -3.592849 -0.086886
C -5.748161 -3.214541 2.279544
C -5.813077 -4.056991 1.158421
H 4.394753 -0.321005 0.920733
H 4.894370 1.817917 -1.250102
H 4.863016 2.202470 0.464873
H 5.412858 -0.621617 -1.979914
H 3.711108 -0.751996 -1.516921
H 6.780866 -0.921719 0.755190
H 6.555085 0.703698 1.406583
H 4.750865 -3.013399 -1.621698
H 5.975633 -2.551768 -0.434921
H 4.277310 -2.665433 0.043469
H 7.334076 0.102208 -1.519860
H 7.215140 1.710691 -0.797651
H 8.458768 0.585428 -0.244403
H 2.765128 1.515975 1.842341
H 2.837192 1.614491 -2.470018
H 0.301190 1.639124 1.823276
H 0.342239 1.741593 -2.504935
H -1.828170 0.880719 1.267483
H -1.799782 2.696478 1.245518
H -4.145425 2.220255 0.839686
H -3.469737 2.491696 -0.787475
H -3.099713 -0.202508 -0.751472
H -4.765344 0.461737 -1.041604
H -4.566693 -1.947425 -1.212410
H -5.203181 -1.246031 3.014980
H -5.437836 -4.247680 -0.956928
H -6.081217 -3.581350 3.250469
H -6.194157 -5.068895 1.263879


%chk=000180391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180391

0 1
O -1.397445 1.874977 -0.539628
O -4.096079 -0.129484 1.013734
C 4.870782 0.048103 0.152512
C 4.365282 1.411878 -0.424093
C 4.509212 -1.126326 -0.795683
C 6.383858 0.116853 0.508830
C 2.849390 1.551434 -0.437555
C 4.857335 -2.524489 -0.239825
C 7.341306 0.317603 -0.688342
C 2.133968 1.801012 0.759693
C 2.098288 1.422278 -1.636655
C 0.725625 1.915478 0.778443
C 0.694115 1.531857 -1.642319
C 0.001635 1.776918 -0.431792
C -2.166662 2.122777 0.694707
C -3.643789 2.125426 0.294621
C -4.136866 0.752961 -0.169169
C -4.473571 -1.472134 0.846720
C -4.904658 -2.034839 -0.380900
C -4.405300 -2.272615 2.015003
C -5.264573 -3.402366 -0.425667
C -4.767130 -3.632325 1.952983
C -5.199858 -4.207675 0.732137
H 4.326009 -0.121837 1.107652
H 4.758846 1.537096 -1.451666
H 4.806775 2.225670 0.186852
H 5.015983 -0.978947 -1.771694
H 3.422424 -1.081270 -1.004070
H 6.670233 -0.807986 1.047386
H 6.532137 0.947577 1.229622
H 4.493718 -3.320177 -0.916035
H 5.948004 -2.661233 -0.121373
H 4.388435 -2.685226 0.749848
H 7.276388 -0.518672 -1.408533
H 7.120631 1.252022 -1.236007
H 8.389806 0.376002 -0.342238
H 2.686845 1.916383 1.700768
H 2.623471 1.235796 -2.581444
H 0.213669 2.113088 1.724788
H 0.117844 1.433732 -2.567733
H -1.966203 1.321698 1.432902
H -1.872729 3.101609 1.125074
H -4.249741 2.453671 1.159831
H -3.795259 2.855315 -0.522642
H -3.477053 0.351364 -0.962840
H -5.176540 0.814516 -0.549616
H -4.960688 -1.431384 -1.291520
H -4.069131 -1.811602 2.949120
H -5.596476 -3.835583 -1.376198
H -4.711264 -4.245534 2.859483
H -5.480294 -5.265190 0.687327


