%chk=000180438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180438

0 1
O 4.166618 1.473208 0.672900
O -0.359040 3.071866 -0.455420
O -4.535900 -1.749685 -1.321018
C 1.229634 -0.772891 0.001041
C 2.097534 0.497748 0.246197
C -0.191862 -0.450279 0.581906
C 3.620349 0.297002 0.014934
C 1.837144 -1.955876 0.798058
C 1.568157 1.697399 -0.541713
C 4.146539 -0.931148 0.787310
C -0.798315 0.783729 -0.039875
C 3.319836 -2.180826 0.484427
C -1.150661 -1.654163 0.471359
C 1.125450 -1.137414 -1.486164
C 0.095724 1.950622 -0.337099
C -2.575197 -1.267254 0.876271
C -3.143242 -0.154723 -0.039103
C -2.110317 0.919546 -0.287258
C 4.087084 0.302183 -1.439944
C -3.525939 -0.739955 -1.429901
C -4.386694 0.413568 0.618501
C -4.384860 1.417225 1.491058
H 2.011233 0.755917 1.339711
H -0.066560 -0.218420 1.674791
H 1.273609 -2.883359 0.583950
H 1.717078 -1.774098 1.883969
H 1.748266 1.578936 -1.630788
H 2.149040 2.606282 -0.255209
H 4.115482 -0.703895 1.872813
H 5.211373 -1.109531 0.555307
H 3.700615 -3.033620 1.079729
H 3.446195 -2.473486 -0.576015
H -0.793765 -2.479758 1.115587
H -1.146832 -2.049710 -0.563117
H 2.118019 -1.183725 -1.959118
H 0.651039 -2.113743 -1.630346
H 0.531096 -0.403373 -2.041484
H -3.240319 -2.152081 0.848690
H -2.587104 -0.914676 1.927335
H -2.508263 1.856987 -0.695200
H 3.957929 1.292292 -1.894239
H 5.143284 0.034421 -1.538431
H 3.509038 -0.418179 -2.041484
H 5.122556 1.556102 0.523039
H -2.646579 -1.165331 -1.943946
H -4.006566 0.018448 -2.076278
H -5.309678 -0.094641 0.321530
H -4.246278 -2.452341 -0.698993
H -5.285158 1.797663 1.953113
H -3.493594 1.942339 1.808716


%chk=000180438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180438

0 1
O 4.126337 1.557680 0.818619
O -0.421961 3.036699 -0.799822
O -4.790692 -1.736768 -1.137521
C 1.261129 -0.827701 -0.111284
C 2.106377 0.465930 0.187139
C -0.172085 -0.524608 0.479501
C 3.661362 0.335063 0.090949
C 1.871991 -2.035328 0.662969
C 1.578212 1.685704 -0.596314
C 4.135921 -0.914850 0.874364
C -0.802916 0.740182 -0.112418
C 3.392051 -2.198901 0.447881
C -1.168956 -1.708955 0.407310
C 1.157238 -1.166489 -1.623415
C 0.069988 1.905169 -0.504914
C -2.559235 -1.286129 0.930681
C -3.198287 -0.157514 0.059912
C -2.153658 0.884967 -0.275379
C 4.272594 0.373476 -1.327161
C -3.727482 -0.739908 -1.307662
C -4.394535 0.440637 0.800775
C -4.415109 1.619664 1.470319
H 1.949286 0.679185 1.267445
H 0.001354 -0.321315 1.562250
H 1.352214 -2.967275 0.369318
H 1.687792 -1.893623 1.749607
H 1.803098 1.582736 -1.677857
H 2.088188 2.606717 -0.265185
H 3.948898 -0.725698 1.950445
H 5.231460 -1.038322 0.749016
H 3.761288 -3.056716 1.041934
H 3.609898 -2.438308 -0.611470
H -0.792968 -2.553940 1.012968
H -1.252314 -2.072178 -0.635486
H 2.145869 -1.327133 -2.083125
H 0.581001 -2.097867 -1.769309
H 0.647622 -0.370849 -2.195151
H -3.242317 -2.157472 0.991239
H -2.460825 -0.907866 1.965984
H -2.508552 1.835632 -0.699414
H 3.966257 1.282207 -1.871403
H 5.377815 0.384842 -1.251255
H 3.999689 -0.505963 -1.934087
H 5.117898 1.572714 0.801025
H -2.882213 -1.157694 -1.892076
H -4.194572 0.069704 -1.891947
H -5.295360 -0.190567 0.769725
H -4.399079 -2.574266 -0.784074
H -5.321287 1.960030 1.984387
H -3.541229 2.280564 1.522066


