%chk=000183063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183063

0 1
O -0.406503 0.556715 1.419902
O -1.858201 2.112097 0.660998
O 3.874132 0.296320 2.482749
O 5.424365 -0.654156 0.259168
O 4.284370 0.275786 -2.967910
C -4.011193 -0.135266 1.366459
C -3.670372 -0.266553 -0.117741
C -2.531366 -0.226221 0.912315
C -4.542349 1.186959 1.861353
C -4.555548 -1.322516 2.122707
C -3.913620 -1.512256 -0.876481
C -1.650108 0.954848 0.955770
C -5.102581 -1.841201 -1.408235
C 0.634459 1.566958 1.561350
C -5.283854 -3.103446 -2.193093
C -6.321618 -0.983349 -1.276860
C 1.564853 1.018079 2.652542
C 1.482081 1.606675 0.286634
C 2.742775 1.179205 0.521476
C 2.894055 0.762172 1.950734
C 3.879813 1.114029 -0.430518
C 0.898162 2.091999 -0.976247
C 4.373021 -0.324758 -0.665380
C 5.082004 -0.492661 -2.037688
C 5.140611 -1.931121 -2.479691
C 5.826649 -2.853725 -1.810744
H -3.798480 0.636776 -0.740118
H -1.995916 -1.164173 1.133152
H -5.622747 1.267525 1.691165
H -4.366471 1.314152 2.936987
H -4.070957 2.047870 1.358682
H -4.218743 -1.317089 3.167015
H -5.653128 -1.318613 2.126890
H -4.244220 -2.278606 1.680350
H -3.040938 -2.152891 -1.000013
H 0.166988 2.545301 1.798355
H 1.163099 0.075981 3.083505
H 1.682582 1.704859 3.507831
H -4.341284 -3.638638 -2.366368
H -5.723787 -2.899135 -3.179188
H -5.958597 -3.797631 -1.672916
H -6.356549 -0.465018 -0.308019
H -7.252275 -1.555580 -1.372469
H -6.334017 -0.208187 -2.057030
H 3.592544 1.566111 -1.410656
H 4.726539 1.732938 -0.059490
H -0.134302 2.464631 -0.856153
H 0.868276 1.290205 -1.734497
H 1.490595 2.910829 -1.414126
H 3.553884 -1.065832 -0.542194
H 6.099570 -0.035876 -1.994715
H 5.152894 -0.423863 1.190942
H 4.570228 -2.156799 -3.380319
H 4.653596 0.202531 -3.868402
H 5.885942 -3.889631 -2.109172
H 6.368237 -2.629661 -0.894496


%chk=000183063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183063

0 1
O -0.657662 0.219772 1.444171
O -2.258582 1.901255 1.119138
O 3.920599 0.663780 2.320377
O 5.629519 -0.165257 0.316258
O 4.131897 -0.663061 -3.000927
C -4.314497 -0.390255 2.015477
C -4.260171 -0.326248 0.482805
C -2.922906 -0.454951 1.304985
C -4.719945 0.875509 2.768293
C -4.757393 -1.680170 2.706416
C -4.687419 -1.429652 -0.414216
C -1.982630 0.683615 1.280353
C -5.141567 -1.308923 -1.698379
C 0.426290 1.255233 1.426421
C -5.556054 -2.537786 -2.490742
C -5.282645 0.003870 -2.447757
C 1.459910 0.936483 2.518928
C 1.191706 1.190894 0.106825
C 2.543668 1.007292 0.312548
C 2.792395 0.853188 1.768616
C 3.648844 0.970485 -0.715890
C 0.453885 1.337769 -1.189347
C 4.548662 -0.301086 -0.653440
C 5.240608 -0.553373 -2.009936
C 6.066070 -1.817137 -2.019263
C 7.358758 -1.874663 -2.423935
H -4.392951 0.689447 0.092539
H -2.436694 -1.434172 1.307569
H -5.822871 0.931631 2.833388
H -4.320432 0.862560 3.800240
H -4.351391 1.787599 2.271048
H -4.386275 -1.701177 3.747648
H -5.861790 -1.737719 2.736818
H -4.385633 -2.587994 2.200791
H -4.629244 -2.443924 0.006949
H -0.067458 2.238490 1.546906
H 1.236293 -0.036812 2.990108
H 1.508559 1.691174 3.322030
H -5.444870 -3.465728 -1.903458
H -4.948132 -2.638964 -3.412055
H -6.612605 -2.462843 -2.817437
H -4.939039 0.878064 -1.872421
H -6.339452 0.177881 -2.732588
H -4.704602 -0.026908 -3.392633
H 3.218127 1.037771 -1.729214
H 4.322140 1.840338 -0.573020
H -0.123406 2.282222 -1.205318
H -0.287217 0.522047 -1.296616
H 1.123912 1.309840 -2.062578
H 3.909766 -1.185108 -0.426895
H 5.883918 0.318501 -2.252868
H 5.223462 0.141145 1.183626
H 5.539344 -2.729053 -1.700771
H 4.511830 -1.029560 -3.839052
H 7.917289 -2.817118 -2.438853
H 7.904684 -0.971109 -2.723555


