%chk=000256518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256518

0 1
O 2.188456 0.562135 -0.368922
O -2.474394 0.416029 -0.317281
O -0.072375 -3.684927 0.339432
O 0.840569 4.882893 1.418937
O -0.254500 4.872545 -0.526885
C -0.141419 0.481757 -0.346688
C 1.084258 -0.206880 -0.235448
C -1.321811 -0.276453 -0.207527
C 3.563350 -0.009464 -0.190513
C -3.809834 -0.271538 -0.278060
C 1.157861 -1.609486 -0.012195
C -1.297521 -1.672506 0.061947
C -0.049891 -2.306223 0.155758
C -0.186171 1.953744 -0.620102
C 3.580331 -1.508472 -0.165568
C -3.724295 -1.725438 0.077752
C 2.463514 -2.242427 -0.066733
C -2.560310 -2.372363 0.223408
C 4.291680 0.565345 -1.400629
C 4.024015 0.589392 1.136042
C -4.546537 0.546596 0.777812
C -4.340623 -0.057940 -1.692246
C 0.293902 2.748048 0.603993
C 0.224756 4.220450 0.369642
C 0.438125 -4.142555 1.618346
H 0.453407 2.191562 -1.497873
H -1.217026 2.266835 -0.898796
H 4.568682 -1.954459 -0.234656
H -4.685021 -2.219469 0.195568
H 2.482608 -3.334367 -0.060513
H -2.500288 -3.436640 0.463561
H 4.067950 1.634352 -1.522747
H 3.974712 0.069839 -2.327905
H 5.376921 0.455709 -1.311820
H 3.896605 1.679440 1.145563
H 5.079838 0.373178 1.329951
H 3.441996 0.188729 1.975472
H -4.164553 0.334193 1.784256
H -4.409729 1.623238 0.605280
H -5.621167 0.338835 0.773296
H -4.228106 0.989897 -2.001701
H -3.786787 -0.665759 -2.419873
H -5.399498 -0.322809 -1.772561
H -0.309310 2.482722 1.500309
H 1.338081 2.447982 0.861521
H 0.429615 -5.232064 1.491393
H -0.250327 -3.828801 2.409451
H 1.449493 -3.770808 1.802203
H 0.815166 5.868605 1.316149


%chk=000256518-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256518

0 1
O 2.332473 0.460483 -0.770419
O -2.391441 0.584325 0.049710
O -0.039894 -3.692128 0.356097
O -0.048891 5.023658 1.669616
O -0.370256 4.913471 -0.625768
C -0.033824 0.526055 -0.368596
C 1.166434 -0.227191 -0.408883
C -1.223939 -0.182575 -0.073401
C 3.671524 -0.164303 -0.418279
C -3.732162 -0.110154 -0.108760
C 1.196266 -1.639920 -0.196029
C -1.246139 -1.584774 0.198478
C -0.020748 -2.289384 0.133723
C -0.054062 2.018994 -0.629906
C 3.614053 -1.670965 -0.627142
C -3.681951 -1.506133 0.496392
C 2.445460 -2.353501 -0.463064
C -2.512905 -2.200504 0.591125
C 4.657348 0.521724 -1.376154
C 3.962747 0.185834 1.060283
C -4.713271 0.814433 0.629353
C -4.030782 -0.177468 -1.625511
C -0.125753 2.823349 0.690659
C -0.196552 4.317423 0.459975
C 0.545411 -4.115247 1.645252
H 0.847935 2.311572 -1.190700
H -0.933339 2.279658 -1.243857
H 4.547104 -2.178409 -0.896530
H -4.637864 -1.945565 0.804023
H 2.395324 -3.440121 -0.592577
H -2.489151 -3.231543 0.956687
H 4.609793 1.617135 -1.252751
H 4.413375 0.275734 -2.423126
H 5.688946 0.187777 -1.163320
H 3.975296 1.281711 1.199930
H 4.945368 -0.221016 1.361149
H 3.194166 -0.251654 1.721181
H -4.467626 0.862771 1.703526
H -4.664855 1.833767 0.209188
H -5.746141 0.437801 0.519049
H -4.046601 0.838687 -2.058472
H -3.262591 -0.776703 -2.144455
H -5.012840 -0.653535 -1.801040
H -1.025008 2.526892 1.264875
H 0.742952 2.609606 1.340213
H 0.506711 -5.215482 1.641562
H -0.049295 -3.717329 2.490444
H 1.593521 -3.774411 1.744049
H -0.119927 5.999359 1.482002


