%chk=000250202.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250202

0 1
O 5.100765 -0.312689 -0.349919
O -4.670150 -1.178193 -1.190849
O -5.907255 -0.183402 0.501827
O 5.002388 -2.097221 1.040851
C 2.637806 -0.039677 0.064653
C 1.876071 1.307083 0.302182
C 0.418505 1.166620 -0.147542
C -0.251913 0.102074 0.773533
C 2.014632 -1.094902 0.991260
C 4.086494 0.402801 0.430648
C 2.785070 2.365259 -0.346390
C 0.510269 -1.241495 0.701496
C 4.217575 1.867078 -0.042660
C -0.371498 2.478909 -0.057929
C -1.726033 -0.023938 0.449829
C 2.605068 -0.517347 -1.393121
C -1.792239 2.265109 -0.596549
C -2.415234 0.966973 -0.146417
C -2.402736 -1.301868 0.872459
C -3.886191 0.888603 -0.459314
C -3.885269 -1.095399 1.189053
C -4.571767 -0.402063 0.010509
C 5.470851 -1.570716 0.058092
C 6.495922 -2.105182 -0.883206
C -5.261482 -2.487160 -1.076408
C -6.840976 0.427240 -0.408762
H 1.867904 1.516186 1.403680
H 0.385011 0.802462 -1.204136
H -0.191333 0.469873 1.832165
H 2.173238 -0.822362 2.051417
H 2.529075 -2.068776 0.867361
H 4.325404 0.254389 1.500453
H 2.607236 3.369628 0.066329
H 2.609711 2.435002 -1.432878
H 0.363846 -1.696737 -0.296570
H 0.077336 -1.955582 1.428328
H 4.860872 1.917249 -0.940925
H 4.707669 2.486494 0.724411
H 0.134460 3.275577 -0.632643
H -0.410624 2.834910 0.988733
H 3.180479 0.147623 -2.047315
H 3.038080 -1.518298 -1.487909
H 1.579309 -0.558239 -1.779852
H -1.775201 2.280391 -1.707141
H -2.431069 3.118335 -0.292480
H -2.295759 -2.044569 0.051135
H -1.899996 -1.740621 1.757949
H -4.410643 1.750952 0.003754
H -4.029553 0.985943 -1.559765
H -4.382074 -2.052125 1.429095
H -4.008988 -0.462801 2.092763
H 7.379654 -1.450279 -0.930864
H 6.101729 -2.175463 -1.908725
H 6.828467 -3.107509 -0.573529
H -4.522169 -3.183984 -0.672130
H -5.507408 -2.737150 -2.114306
H -6.161363 -2.452803 -0.453652
H -6.735387 0.006194 -1.414370
H -6.685032 1.509366 -0.413606
H -7.813858 0.173828 0.026494


%chk=000250202-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250202

0 1
O 5.123764 -0.509350 -0.385605
O -4.550812 -1.133331 -1.135184
O -6.084187 -0.243206 0.499357
O 5.395834 -1.695974 1.615345
C 2.610123 -0.080943 -0.228740
C 1.870213 1.245042 0.156978
C 0.368859 1.187114 -0.172651
C -0.262331 0.031559 0.662266
C 1.976648 -1.253284 0.560245
C 4.044261 0.332573 0.210045
C 2.766886 2.364857 -0.435996
C 0.438793 -1.323134 0.341087
C 4.221205 1.797857 -0.283519
C -0.403680 2.495095 0.090782
C -1.788160 -0.012943 0.524025
C 2.590370 -0.377470 -1.751579
C -1.854031 2.345710 -0.415196
C -2.501690 1.032636 0.011346
C -2.490185 -1.268144 1.031519
C -4.012706 0.996023 -0.186435
C -3.989328 -1.046572 1.309328
C -4.668574 -0.362720 0.116333
C 5.719540 -1.483487 0.424394
C 6.797878 -2.213166 -0.350091
C -5.070863 -2.506681 -1.070395
C -6.931628 0.451023 -0.480441
H 1.946641 1.331342 1.266837
H 0.242985 0.945230 -1.250201
H -0.033519 0.247634 1.734952
H 2.183210 -1.117234 1.641826
H 2.439645 -2.216492 0.269276
H 4.132346 0.249384 1.309877
H 2.639354 3.323305 0.096525
H 2.521143 2.548505 -1.498804
H 0.209336 -1.614439 -0.703186
H 0.028897 -2.124221 0.983933
H 4.762555 1.794840 -1.245849
H 4.825785 2.384753 0.429490
H 0.086934 3.350086 -0.413036
H -0.403819 2.712302 1.178878
H 2.966619 0.471232 -2.348935
H 3.239165 -1.244426 -1.968175
H 1.574849 -0.615772 -2.109469
H -1.872426 2.421064 -1.524672
H -2.475824 3.190092 -0.050060
H -2.361333 -2.090283 0.297232
H -2.000970 -1.614919 1.964390
H -4.488092 1.760324 0.463079
H -4.244673 1.276952 -1.233405
H -4.501917 -1.997601 1.539618
H -4.119621 -0.385659 2.185792
H 7.559242 -1.497606 -0.705726
H 6.363577 -2.698715 -1.241270
H 7.269066 -2.969686 0.293490
H -4.385206 -3.179765 -0.518245
H -5.139841 -2.842566 -2.117442
H -6.070083 -2.532756 -0.596469
H -6.793642 0.031741 -1.494949
H -6.721924 1.538781 -0.502932
H -7.966962 0.289090 -0.140991


