%chk=000111068.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000111068

0 1
O 0.739335 0.614146 1.569819
O -0.894361 -0.644419 0.473439
O 2.070622 -2.397111 -0.941573
O 2.634278 0.364530 -1.606000
O 1.715067 -2.240589 2.284524
O 0.984667 3.476999 0.528613
C 2.088730 -1.347718 0.032728
C 1.664311 -0.019528 -0.636701
C 1.065589 -1.793401 1.101237
C 1.451980 1.093691 0.406263
C 0.087521 -0.655387 1.492825
C 0.652556 2.275042 -0.168425
C -2.044041 0.220878 0.711841
C -3.039425 -0.208891 -0.361322
C -4.287549 0.681056 -0.345792
C -5.289081 0.253778 -1.415360
H 3.116048 -1.294680 0.456458
H 0.744507 -0.186730 -1.258961
H 0.513116 -2.704045 0.746284
H 2.414657 1.454596 0.839726
H -0.337236 -0.757711 2.514257
H -0.441170 2.087946 -0.098444
H 0.939923 2.499477 -1.215399
H 2.464642 -2.076693 -1.789017
H 3.478677 0.639756 -1.188061
H -1.692664 1.266814 0.586907
H -2.418196 0.064849 1.735967
H 2.238167 -1.517088 2.697984
H -3.315477 -1.272417 -0.211508
H -2.550489 -0.179974 -1.356453
H -4.001647 1.739782 -0.505490
H -4.768857 0.641915 0.651708
H 0.722310 3.401167 1.472712
H -4.858742 0.315303 -2.421955
H -5.624711 -0.779504 -1.267259
H -6.180156 0.892163 -1.401272


%chk=000111068-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000111068

0 1
O 0.816134 0.697286 1.508416
O -0.883945 -0.695086 0.457463
O 2.372469 -2.505384 -0.758640
O 2.757822 0.188479 -1.724257
O 1.829630 -2.074019 2.493569
O 0.420761 3.294661 0.495333
C 2.192401 -1.354731 0.120707
C 1.743195 -0.125308 -0.693603
C 1.171686 -1.741738 1.223562
C 1.486369 1.089400 0.220082
C 0.138819 -0.620643 1.471697
C 0.640247 2.189140 -0.438852
C -2.135034 0.028960 0.794981
C -3.057762 -0.054460 -0.422169
C -4.422104 0.631171 -0.172870
C -5.347093 0.558069 -1.406635
H 3.157489 -1.094751 0.620964
H 0.846885 -0.381696 -1.280034
H 0.654299 -2.663135 0.919053
H 2.450735 1.528171 0.552218
H -0.282754 -0.713146 2.491589
H -0.320323 1.757566 -0.789277
H 1.176613 2.617360 -1.301744
H 2.845001 -2.184442 -1.572637
H 3.585355 0.510304 -1.277489
H -1.899537 1.083442 1.047190
H -2.597155 -0.452347 1.682982
H 2.258551 -1.250956 2.846941
H -3.211998 -1.119262 -0.682290
H -2.555561 0.417361 -1.289574
H -4.258793 1.692670 0.103657
H -4.922828 0.154002 0.694003
H 0.144555 2.886474 1.358621
H -4.883971 1.056395 -2.278682
H -5.550208 -0.491955 -1.688553
H -6.317051 1.050149 -1.211422


