%chk=000193796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193796

0 1
O -2.123392 -0.636197 -1.425147
O -1.072533 -3.033924 2.136972
O 3.365433 2.342405 -2.135277
O -4.827168 -0.356085 -0.787905
O -6.090159 0.847055 -2.184313
C -0.139419 -0.283607 -0.041423
C -0.214158 -0.890155 1.380026
C -0.909593 -1.247057 -0.998148
C -1.177468 -2.543835 -0.223049
C -0.862545 -2.269392 1.230417
C -0.984899 -0.016984 2.381470
C 1.285627 -0.130424 -0.490312
C 3.258041 1.205709 -1.246519
C 1.826288 1.047343 -0.808750
C 4.241496 1.548969 -0.097359
C -2.389337 0.285001 1.950049
C 4.541026 0.302867 0.755336
C 5.374682 -0.741168 0.002329
C 3.713011 2.693328 0.770340
C -2.820472 1.518716 1.670473
C 5.651421 -1.974141 0.874074
C -4.241206 1.827942 1.304455
C -4.352506 2.654100 0.015526
C 6.478377 -3.018547 0.127979
C -4.042664 1.835293 -1.243574
C -5.100184 0.805850 -1.497842
H -0.662998 0.705210 -0.061560
H 0.816805 -1.045437 1.788822
H -0.379514 -1.413388 -1.960263
H -2.222867 -2.888385 -0.350145
H -0.565355 -3.386481 -0.596730
H -1.017003 -0.540957 3.365034
H -0.409073 0.914661 2.560469
H 1.858654 -1.058558 -0.534516
H 3.617635 0.312902 -1.811622
H 5.187417 1.897836 -0.589855
H 1.268337 1.984607 -0.764810
H -2.792760 -0.583767 -0.692839
H -3.048592 -0.583202 1.902387
H 3.594919 -0.146307 1.113261
H 5.081892 0.614946 1.671205
H 4.856017 -1.048180 -0.926705
H 6.332811 -0.292916 -0.326380
H 4.477700 3.053034 1.466428
H 3.417823 3.542301 0.136912
H 2.838229 2.397708 1.357827
H -2.159457 2.385046 1.713025
H 4.696125 -2.423265 1.208742
H 6.181256 -1.669943 1.798357
H 2.762567 2.240691 -2.894967
H -4.711422 2.386512 2.142822
H -4.838598 0.894846 1.202720
H -5.371287 3.087421 -0.060467
H -3.662032 3.520972 0.056503
H 5.966966 -3.372328 -0.774181
H 6.673042 -3.893550 0.758628
H 7.450052 -2.617604 -0.183057
H -3.041176 1.343869 -1.152789
H -3.972410 2.501835 -2.131055
H -5.488503 -1.075692 -0.962929


%chk=000193796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193796

0 1
O -1.647121 -1.114786 -2.915187
O -2.215879 -3.767923 1.177292
O 2.742091 1.873774 -2.678387
O -3.861066 0.558510 -1.840574
O -5.311165 1.600725 -0.360309
C -0.443208 -1.148208 -0.691039
C -0.520655 -2.061754 0.567385
C -1.167396 -1.955564 -1.825855
C -2.274317 -2.751818 -1.088925
C -1.741062 -2.976484 0.327394
C -0.586545 -1.301583 1.929766
C 0.954812 -0.714543 -1.044882
C 2.788770 0.983924 -1.487003
C 1.385703 0.572764 -1.102518
C 3.558267 1.787889 -0.403715
C -1.797883 -0.396426 2.027117
C 3.916862 0.911275 0.826200
C 4.975858 -0.186301 0.569574
C 2.793581 3.062961 0.021962
C -1.766521 0.961924 2.072376
C 5.359253 -0.962189 1.851361
C -2.988609 1.857444 2.115370
C -3.012171 2.918557 0.977463
C 6.424371 -2.051286 1.600612
C -2.937895 2.320602 -0.445248
C -4.156486 1.503250 -0.817590
H -1.060788 -0.249198 -0.490308
H 0.369274 -2.728201 0.601389
H -0.455965 -2.646144 -2.313124
H -3.186598 -2.124410 -1.002333
H -2.571180 -3.694384 -1.577365
H -0.617801 -2.061619 2.734298
H 0.343367 -0.713908 2.051351
H 1.667425 -1.526891 -1.270486
H 3.370665 0.071507 -1.739235
H 4.502422 2.104620 -0.894478
H 0.683643 1.394567 -0.897238
H -2.286249 -0.439699 -2.552470
H -2.775736 -0.904643 2.041621
H 2.990401 0.446659 1.225943
H 4.295771 1.582060 1.624860
H 4.608907 -0.909649 -0.187162
H 5.887010 0.278328 0.138050
H 3.448069 3.720528 0.623088
H 2.453993 3.626423 -0.863928
H 1.912018 2.816657 0.644944
H -0.787688 1.471886 2.071424
H 4.447991 -1.424848 2.283283
H 5.732158 -0.245315 2.611348
H 2.196288 1.425726 -3.374463
H -3.019485 2.404560 3.079861
H -3.908678 1.244454 2.072105
H -3.932667 3.523569 1.072514
H -2.154011 3.607866 1.099565
H 6.065752 -2.795063 0.863870
H 6.678229 -2.592584 2.530536
H 7.356602 -1.608786 1.201568
H -2.035806 1.697804 -0.572927
H -2.860823 3.134808 -1.194589
H -4.705200 0.106089 -2.116052


