%chk=000190453.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190453

0 1
O 6.165007 0.468757 0.242235
O -4.133677 -1.002426 -0.635606
O 7.114898 -1.642687 -1.624060
O -4.547769 1.134865 -0.003963
O -8.062142 -1.924192 0.046274
O 1.545436 1.721709 0.058906
O -6.680260 0.059909 1.796711
O -6.084850 -4.046517 -0.408438
O -1.972968 5.097901 -0.396959
C 7.173461 -0.558501 0.574722
C 6.882009 -1.856454 -0.230010
C 5.449774 -2.361330 -0.006640
C 4.432355 -1.261443 0.028716
C -6.687830 -1.857553 0.449365
C 4.848676 0.096203 0.167677
C -6.245175 -0.381139 0.503560
C -5.944509 -2.642610 -0.655269
C 8.457897 0.125516 0.129856
C 7.109728 -0.794036 2.078315
C -4.706950 -0.226231 0.429432
C -4.427470 -2.407833 -0.581214
C 3.075475 -1.558810 -0.082138
C 2.145164 -0.513070 -0.061892
C 3.954743 1.174059 0.186810
C 2.613290 0.828575 0.066090
C 0.704919 -0.422360 -0.150278
C 0.378672 0.905034 -0.076065
C -0.870926 1.655755 -0.110263
C -3.278583 1.690248 -0.073848
C -2.091392 0.956763 -0.034951
C -0.849733 3.049372 -0.223517
C -3.311476 3.088626 -0.195878
C -2.074284 3.738514 -0.273825
H 7.634100 -2.642723 0.014023
H 5.397825 -2.949668 0.933424
H 5.206280 -3.079069 -0.822569
H -6.578551 -2.339604 1.449152
H -6.740804 0.222603 -0.293398
H -6.367801 -2.396600 -1.656137
H 8.630768 -0.006857 -0.950105
H 8.405549 1.208737 0.314846
H 9.334828 -0.264039 0.656170
H 7.280537 0.145144 2.624077
H 6.124760 -1.159160 2.396194
H 7.863238 -1.512574 2.416077
H -4.170699 -0.412188 1.378778
H -3.987623 -2.859080 0.326078
H -3.904676 -2.792771 -1.479177
H 2.734887 -2.587670 -0.188842
H 4.297204 2.198986 0.288111
H 6.508162 -0.946014 -1.968698
H 0.040329 -1.258260 -0.261476
H -8.630426 -1.493643 0.726745
H -6.591194 1.038456 1.866877
H -7.037251 -4.297542 -0.471616
H -2.110417 -0.130442 0.007297
H 0.089546 3.600951 -0.278760
H -4.256704 3.615258 -0.236275
H -2.858875 5.538954 -0.443048


%chk=000190453-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190453

0 1
O 6.236576 0.470682 0.211544
O -4.237137 -1.080371 -0.978648
O 7.075413 -1.469952 -1.747185
O -4.621973 1.173989 -0.350111
O -7.968971 -2.205806 0.632504
O 1.543180 1.802694 0.060300
O -6.841122 0.353871 1.342415
O -5.998891 -4.228960 -0.032075
O -2.046869 5.279157 -0.077322
C 7.202654 -0.630694 0.593266
C 6.885412 -1.838717 -0.335688
C 5.455443 -2.364335 -0.086969
C 4.430983 -1.236185 -0.022632
C -6.536940 -1.899772 0.595355
C 4.868870 0.121521 0.137380
C -6.280020 -0.431409 0.238112
C -5.914654 -2.831796 -0.453604
C 8.583253 -0.026511 0.314777
C 7.016951 -0.962417 2.086485
C -4.767914 -0.195217 0.071149
C -4.419239 -2.504038 -0.613887
C 3.050093 -1.504527 -0.138383
C 2.116230 -0.441774 -0.097126
C 3.965265 1.208518 0.175445
C 2.612127 0.889053 0.052580
C 0.674718 -0.326326 -0.183441
C 0.351637 1.021103 -0.087947
C -0.908201 1.760858 -0.116052
C -3.341054 1.781966 -0.251458
C -2.140385 1.051628 -0.217171
C -0.902924 3.176678 -0.064753
C -3.358494 3.194151 -0.210810
C -2.125647 3.877834 -0.122076
H 7.624419 -2.640364 -0.166364
H 5.436798 -2.952154 0.852663
H 5.203377 -3.063679 -0.904406
H -6.077426 -2.107575 1.587385
H -6.769025 -0.176100 -0.724607
H -6.443314 -2.674511 -1.417101
H 8.735025 0.123415 -0.765992
H 8.678259 0.943225 0.832293
H 9.374195 -0.702273 0.687029
H 7.325645 -0.100019 2.701778
H 5.966602 -1.195839 2.329783
H 7.641163 -1.830345 2.369149
H -4.214160 -0.370474 1.023267
H -3.883638 -2.740996 0.329912
H -3.975246 -3.078049 -1.439947
H 2.713584 -2.539351 -0.270692
H 4.329986 2.230917 0.293238
H 6.560742 -0.637971 -1.919117
H -0.033564 -1.142539 -0.311892
H -8.401408 -1.563479 1.251635
H -6.723151 1.314803 1.132430
H -6.947393 -4.412166 0.194288
H -2.158488 -0.035553 -0.318393
H 0.035309 3.730434 0.005778
H -4.317794 3.722380 -0.247318
H -2.944366 5.689166 -0.147168


