%chk=000256421.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256421

0 1
O -0.007012 0.204817 0.099166
O -4.540170 -1.603663 -0.685361
O -1.019690 2.600934 -0.001343
O -5.486227 0.784802 -0.507265
O -3.692614 3.017508 0.038014
O -2.091760 -3.281199 0.236440
O 6.205098 -0.302569 0.008555
C -2.186618 -0.927091 -0.158857
C -1.387254 0.235709 -0.019350
C -3.567309 -0.716025 -0.377426
C -1.901041 1.536616 0.006961
C -4.131114 0.595331 -0.272707
C 0.644029 -1.028459 0.014987
C -3.312852 1.719576 -0.074261
C -1.512658 -2.230267 0.022506
C -0.045037 -2.182619 -0.029049
C 2.089815 -0.799449 0.007287
C 2.607952 0.437917 -0.415126
C 2.970668 -1.821590 0.425473
C 3.983674 0.665106 -0.438201
C 4.340981 -1.616450 0.411451
C 4.839578 -0.367059 -0.025374
C -4.240711 -2.942830 -1.164838
C -1.003442 3.350758 1.246836
C -6.349131 0.187024 0.502440
C -5.100940 3.351732 -0.125025
C 6.855057 0.939925 -0.420308
C 8.312027 0.640314 -0.249890
C 9.269022 1.519418 -0.531393
H 0.446832 -3.153243 -0.086853
H 1.917872 1.231003 -0.727339
H 2.568331 -2.778621 0.766535
H 4.364258 1.624881 -0.771016
H 5.039934 -2.388579 0.727761
H -5.179115 -3.201053 -1.669711
H -4.041896 -3.593006 -0.299076
H -3.396191 -2.939342 -1.856770
H -0.251939 4.118589 1.036101
H -1.988775 3.794936 1.422533
H -0.696300 2.704092 2.071100
H -6.261341 -0.905508 0.459869
H -7.340369 0.514306 0.173431
H -6.100981 0.567125 1.494441
H -5.670591 2.961663 0.721860
H -5.481598 2.948526 -1.071785
H -5.062652 4.446959 -0.131889
H 6.578871 1.133605 -1.473097
H 6.507852 1.760229 0.234302
H 8.519956 -0.367097 0.127017
H 10.321627 1.300956 -0.407758
H 9.089094 2.517656 -0.903999


%chk=000256421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256421

0 1
O -0.015874 0.186586 -0.073574
O -4.536924 -1.903723 0.074203
O -1.133950 2.610110 -0.163618
O -5.606679 0.634923 0.068788
O -3.932735 2.916053 0.086785
O -2.063628 -3.441286 0.052237
O 6.345452 -0.360592 -0.222001
C -2.201336 -0.992633 -0.037127
C -1.418945 0.202635 -0.049034
C -3.627910 -0.841538 -0.003213
C -1.985537 1.503715 -0.039402
C -4.211366 0.452948 0.053814
C 0.675688 -1.029965 -0.047694
C -3.396830 1.622987 0.014427
C -1.481207 -2.301736 0.011034
C -0.021438 -2.216747 0.007049
C 2.134251 -0.834864 -0.089021
C 2.681516 0.469513 -0.221014
C 3.031268 -1.939739 -0.002530
C 4.074103 0.675761 -0.269817
C 4.417687 -1.746881 -0.049635
C 4.949848 -0.436984 -0.185768
C -4.671146 -2.782500 -1.112031
C -1.134687 3.554912 0.978588
C -6.303544 0.136505 1.280072
C -4.876018 3.302303 -0.992256
C 6.958330 0.978614 -0.402524
C 8.445296 0.777557 -0.510792
C 9.356330 1.461652 0.222561
H 0.509417 -3.170192 0.033698
H 2.000779 1.322902 -0.289689
H 2.645817 -2.958331 0.105556
H 4.458644 1.694618 -0.370153
H 5.112114 -2.589378 0.017663
H -5.560706 -3.396890 -0.904710
H -3.776773 -3.419830 -1.199898
H -4.835348 -2.170636 -2.018853
H -0.431822 4.351322 0.690625
H -2.144783 3.968161 1.136982
H -0.775048 3.046065 1.893270
H -6.142987 -0.948353 1.389630
H -7.368343 0.357725 1.110397
H -5.941296 0.678965 2.173564
H -5.737741 2.616041 -1.010930
H -4.350519 3.298867 -1.965279
H -5.193883 4.324834 -0.738961
H 6.551977 1.427770 -1.334117
H 6.699667 1.632139 0.454001
H 8.768187 0.040094 -1.257521
H 10.431865 1.310526 0.082267
H 9.055965 2.192294 0.983952


