%chk=000297851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297851

0 1
O 3.062158 1.701111 -0.246863
O 3.149402 1.552055 2.009944
O -0.040676 4.198036 -0.064178
O 2.499896 -4.266655 -0.768942
O -3.309191 1.129333 -2.225056
O -1.093549 0.551303 -2.435018
N 0.496229 2.007225 -0.453004
N -1.799567 2.785565 -2.466589
C 0.966941 1.753275 0.918452
C 0.348084 0.453757 1.479507
C 0.938075 -0.796327 0.888551
C 2.497897 1.652659 0.996321
C 0.427407 -1.329403 -0.309285
C 2.002683 -1.439036 1.537884
C 0.026710 3.256200 -0.834042
C -0.446115 3.345133 -2.297189
C 0.963969 -2.492155 -0.853728
C 2.556785 -2.609650 1.014591
C 2.023631 -3.119249 -0.176712
C 4.515342 1.527572 -0.346935
C 4.840185 0.049709 -0.310527
C -1.960134 1.401518 -2.360430
C -3.663890 -0.276912 -2.023743
C -3.438646 -0.660969 -0.588706
C -2.890773 -1.912016 -0.274259
C -3.780902 0.231868 0.437478
C -2.687907 -2.266161 1.063114
C -3.570404 -0.124492 1.771484
C -3.024880 -1.373949 2.085782
H 0.667567 2.628815 1.574513
H -0.753588 0.472695 1.316027
H 0.475499 0.454124 2.584472
H 0.586991 1.231734 -1.122287
H -0.399832 -0.828110 -0.827026
H 2.413674 -1.016035 2.458021
H 0.267991 2.828825 -2.984515
H -0.459573 4.420085 -2.601594
H 0.588734 -2.915513 -1.782623
H 3.376523 -3.105764 1.522334
H 4.998233 2.095077 0.468447
H 4.712385 1.997079 -1.327500
H -2.579387 3.392832 -2.207586
H 5.894601 -0.136849 -0.542627
H 4.230475 -0.513530 -1.031169
H 4.633760 -0.380542 0.680885
H -4.738505 -0.258117 -2.295688
H -3.092344 -0.896057 -2.740339
H 3.237605 -4.672039 -0.252919
H -2.614460 -2.608415 -1.065257
H -4.204960 1.204318 0.186319
H -2.257786 -3.237474 1.306350
H -3.835637 0.570169 2.567363
H -2.863225 -1.652153 3.126097


%chk=000297851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297851

0 1
O 3.332054 1.810905 -0.273817
O 3.399649 1.523640 2.040652
O 0.571515 4.122973 -0.203500
O 2.951218 -4.503499 -0.927891
O -3.459153 1.246269 -2.234354
O -1.259653 0.379695 -2.219002
N 0.645375 1.797696 -0.407311
N -1.697069 2.681009 -2.262231
C 1.213638 1.570967 0.918281
C 0.723668 0.221319 1.540674
C 1.307462 -1.030787 0.896331
C 2.753370 1.632684 0.971188
C 0.760698 -1.588584 -0.292452
C 2.434622 -1.668460 1.475006
C 0.360011 3.063089 -0.868669
C -0.282390 3.088109 -2.276155
C 1.320791 -2.737200 -0.886339
C 3.004199 -2.822638 0.894383
C 2.443710 -3.355112 -0.291075
C 4.828969 1.861241 -0.317925
C 5.394119 0.461363 -0.570774
C -2.064085 1.358888 -2.230788
C -4.005842 -0.139962 -2.024759
C -4.098242 -0.482811 -0.553174
C -3.176441 -1.384641 0.034735
C -5.105419 0.101336 0.258017
C -3.253198 -1.694010 1.411660
C -5.183169 -0.203823 1.634288
C -4.255982 -1.102612 2.214318
H 0.869475 2.399339 1.568042
H -0.380685 0.218907 1.476131
H 0.998533 0.249218 2.609147
H 0.444836 0.996679 -1.017225
H -0.114938 -1.128198 -0.766046
H 2.874681 -1.252947 2.388714
H 0.270564 2.418493 -2.958986
H -0.215760 4.120734 -2.651356
H 0.902831 -3.165370 -1.802215
H 3.872369 -3.303809 1.364463
H 5.192991 2.282060 0.635587
H 5.041958 2.553477 -1.148063
H -2.429808 3.385192 -2.171211
H 6.494175 0.516833 -0.671677
H 4.980877 0.030781 -1.499005
H 5.154100 -0.215288 0.266438
H -4.996724 -0.072526 -2.501157
H -3.363319 -0.850231 -2.571858
H 3.727885 -4.864669 -0.432805
H -2.397598 -1.839958 -0.586699
H -5.822570 0.799555 -0.190437
H -2.533828 -2.392432 1.853489
H -5.963688 0.252803 2.252945
H -4.317284 -1.341187 3.282071


