%chk=000231521.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231521

0 1
O -4.615282 0.818104 0.008350
C 1.698115 -0.534753 -0.007733
C 2.390344 -1.872068 -0.047253
C 2.416052 0.646787 -0.005199
C 3.869163 -1.801377 0.355143
C 3.920984 0.688335 0.008677
C 4.567495 -0.648690 -0.371957
C 0.259554 -0.489082 -0.004643
C -0.410878 0.764794 0.008392
C 1.737742 1.904014 0.012677
C 0.365657 1.979105 0.019287
C -0.534762 -1.682726 -0.015812
C -1.836511 0.788210 0.008606
C -0.316515 3.308722 0.036532
C -2.578611 -0.376987 -0.004158
C -1.905152 -1.632363 -0.015935
C -4.067198 -0.267023 -0.004346
C -4.874544 -1.534446 -0.020865
H 1.870001 -2.593919 0.616096
H 2.303648 -2.280623 -1.077317
H 3.953984 -1.662322 1.450668
H 4.368525 -2.760830 0.126792
H 4.286824 1.483365 -0.672876
H 4.251457 0.988726 1.026896
H 4.502557 -0.799510 -1.467334
H 5.645250 -0.632262 -0.126563
H 2.337209 2.813137 0.020553
H -0.028498 -2.648003 -0.021981
H -2.361522 1.750815 0.018629
H -0.954521 3.445024 -0.849538
H -0.956764 3.421303 0.924274
H 0.392078 4.147561 0.048677
H -2.486527 -2.553610 -0.024753
H -4.674788 -2.157521 0.859989
H -4.670851 -2.136982 -0.915003
H -5.952216 -1.307503 -0.020571


%chk=000231521-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231521

0 1
O -4.679952 0.857576 -0.003123
C 1.712318 -0.553658 0.021760
C 2.426454 -1.905054 0.031919
C 2.435556 0.652062 0.014401
C 3.933619 -1.806848 0.357789
C 3.961093 0.685667 -0.003787
C 4.590453 -0.655761 -0.430489
C 0.267373 -0.500188 0.006980
C -0.422291 0.779195 0.020320
C 1.738480 1.906458 0.025490
C 0.347889 2.004786 0.037096
C -0.533830 -1.692653 -0.028678
C -1.847900 0.798402 0.012293
C -0.333115 3.360361 0.055149
C -2.610378 -0.382011 -0.015909
C -1.927186 -1.642383 -0.040599
C -4.107284 -0.274004 -0.020829
C -4.936812 -1.555020 -0.049070
H 1.942352 -2.578648 0.765611
H 2.297813 -2.391060 -0.958657
H 4.069157 -1.622830 1.442623
H 4.424569 -2.771728 0.130294
H 4.298570 1.502908 -0.670676
H 4.326693 0.951612 1.010984
H 4.433959 -0.816989 -1.515958
H 5.682770 -0.634209 -0.257499
H 2.336698 2.827159 0.023425
H -0.039749 -2.668414 -0.053868
H -2.393525 1.747520 0.026637
H -0.979390 3.506828 -0.830781
H -0.977635 3.482251 0.946066
H 0.412107 4.173132 0.065750
H -2.499232 -2.575654 -0.069761
H -4.719804 -2.189132 0.830877
H -4.713571 -2.154543 -0.951465
H -6.004769 -1.289729 -0.047914


