%chk=000186073.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186073

0 1
O 3.993407 0.187237 1.080274
O 2.334688 -1.409219 1.475030
O -1.008878 1.776913 0.882941
O 3.270328 0.491638 -1.094747
O -1.993078 -2.730926 -0.274010
O -5.305645 2.404786 -0.427946
O -2.417161 3.451529 0.702922
O 5.358165 0.629375 -1.961600
C 1.789077 0.981899 1.671522
C 2.899626 -0.096342 1.920196
C 2.399483 1.911819 0.605106
C 0.653200 0.150704 1.162083
C 3.655522 1.198722 0.103076
C 1.064809 -1.198789 1.039283
C -0.640945 0.496786 0.781692
C -1.543487 -0.516672 0.292950
C -2.845113 -0.085533 -0.060004
C 0.237540 -2.225646 0.566641
C -1.056977 -1.859919 0.202408
C -3.958277 -0.949778 -0.581619
C -3.234101 1.240685 0.048155
C -5.138120 0.010914 -0.797855
C -4.640977 1.404696 -0.386224
C -2.381574 2.278328 0.513084
C 4.240404 0.188606 -2.045426
C -1.630751 -4.134223 -0.405912
C 3.624823 -0.672952 -3.087399
H 1.513792 1.539333 2.590770
H 3.293801 -0.306836 2.923660
H 1.680220 2.091807 -0.222447
H 2.639132 2.906979 1.019371
H 4.588511 1.771889 -0.051447
H 0.618401 -3.237815 0.500510
H -3.656168 -1.469015 -1.514397
H -4.198452 -1.763932 0.132924
H -6.022756 -0.266282 -0.197270
H -5.481464 0.027573 -1.847483
H -1.379994 -4.551605 0.574417
H -0.810536 -4.245390 -1.121740
H -2.561250 -4.567390 -0.796117
H 2.531272 -0.755068 -2.972588
H 4.038453 -1.694085 -3.035842
H 3.836855 -0.284800 -4.096241


%chk=000186073-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186073

0 1
O 4.076645 0.267950 1.123500
O 2.415430 -1.451948 1.612431
O -0.922695 1.784091 0.883036
O 3.009109 0.479443 -1.030035
O -1.897878 -2.850322 -0.296887
O -5.179577 2.530246 -0.577073
O -2.438272 3.509688 0.599082
O 5.033066 0.670770 -2.198219
C 1.835529 0.950154 1.793532
C 2.985043 -0.101967 1.994474
C 2.454924 1.989834 0.808213
C 0.718176 0.102958 1.224283
C 3.583502 1.217533 0.117959
C 1.122942 -1.239689 1.134710
C -0.566381 0.444582 0.790335
C -1.468561 -0.555022 0.273407
C -2.770828 -0.100740 -0.133875
C 0.304268 -2.273843 0.639712
C -0.991561 -1.918137 0.212027
C -3.911682 -0.933111 -0.703673
C -3.139202 1.248037 -0.037560
C -5.062643 0.070609 -0.951692
C -4.531650 1.454843 -0.519563
C -2.265724 2.293750 0.463771
C 3.873978 0.219449 -2.125273
C -1.471443 -4.254385 -0.380900
C 3.169367 -0.654510 -3.134930
H 1.541961 1.434980 2.738830
H 3.402465 -0.241509 3.000622
H 1.716706 2.384407 0.095527
H 2.888664 2.833022 1.372288
H 4.459884 1.789120 -0.221501
H 0.681163 -3.296495 0.600147
H -3.582713 -1.448806 -1.622971
H -4.183511 -1.738524 0.000887
H -5.969447 -0.164408 -0.366401
H -5.370656 0.118062 -2.011301
H -1.235765 -4.657367 0.621622
H -0.595628 -4.363011 -1.047547
H -2.333733 -4.787723 -0.805669
H 2.157346 -0.268334 -3.340483
H 3.057770 -1.672938 -2.721435
H 3.757415 -0.700737 -4.062707


