%chk=000215456.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215456

0 1
O 0.594365 0.601781 1.807531
O 2.430620 -0.844904 2.320389
O -0.664276 0.208067 -2.166941
N -3.153462 -1.077373 0.644212
C -0.677752 -0.911070 0.393256
C -1.951719 -0.234776 0.952235
C 0.512883 0.097221 0.454968
C -4.352660 -0.642174 1.437223
C -3.574539 -0.955101 -0.791662
C -5.195962 0.311088 0.560325
C -4.698371 0.102497 -0.881869
C -0.351464 -2.188904 1.169331
C 1.822713 -0.580615 0.058156
C 0.304132 1.374459 -0.355052
C 2.786925 -1.023302 0.997531
C -0.287877 1.433377 -1.639012
C 2.104657 -0.806709 -1.292201
C 0.732839 2.584677 0.205710
C 3.991563 -1.620684 0.603759
C -0.466113 2.644261 -2.319752
C 3.298547 -1.411295 -1.705690
C 0.566705 3.804025 -0.462161
C 4.241874 -1.807661 -0.758704
C -0.035731 3.831439 -1.718979
C 3.371677 -1.232644 3.349482
C -1.139655 0.171029 -3.534524
H -0.847812 -1.186525 -0.680238
H -2.039154 0.800096 0.555801
H -1.856856 -0.134589 2.054984
H -4.924113 -1.564638 1.674252
H -4.070716 -0.182007 2.400401
H -2.716541 -0.707940 -1.447575
H -3.947936 -1.953484 -1.099692
H -5.062190 1.358932 0.875244
H -6.270523 0.090369 0.653749
H -5.510311 -0.236143 -1.543530
H -4.318004 1.046108 -1.305801
H 0.397798 -2.795530 0.649749
H 0.031948 -1.974287 2.173622
H -1.256592 -2.802939 1.284173
H 0.668137 -0.141952 2.454817
H 1.372863 -0.509022 -2.050058
H 1.204429 2.567835 1.196675
H 4.727935 -1.939588 1.332756
H -0.931552 2.678448 -3.298211
H 3.486012 -1.566140 -2.764654
H 0.908968 4.724524 0.003766
H 5.176472 -2.269256 -1.075121
H -0.172050 4.777709 -2.241312
H 2.834752 -0.946936 4.263147
H 3.548114 -2.311317 3.315046
H 4.299299 -0.661207 3.249712
H -1.290029 -0.905316 -3.690378
H -2.083596 0.716765 -3.622085
H -0.378571 0.562423 -4.215703


%chk=000215456-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215456

0 1
O 0.602515 0.699404 1.883256
O 2.466579 -0.992796 2.408066
O -0.687007 0.214222 -2.260387
N -3.158991 -1.116444 0.700812
C -0.654804 -0.888143 0.464589
C -1.986873 -0.208028 0.877662
C 0.520539 0.167723 0.507649
C -4.375785 -0.660143 1.431905
C -3.635807 -1.199426 -0.711033
C -5.087063 0.393128 0.510198
C -4.603165 0.020741 -0.930750
C -0.386606 -2.116409 1.359988
C 1.869404 -0.510267 0.096000
C 0.264488 1.433800 -0.375935
C 2.801663 -1.066238 1.028884
C -0.314922 1.454087 -1.683532
C 2.211022 -0.632474 -1.273617
C 0.655044 2.685559 0.161418
C 4.005356 -1.678152 0.608841
C -0.500280 2.670317 -2.386511
C 3.402406 -1.251878 -1.711071
C 0.488710 3.902705 -0.534285
C 4.308572 -1.771433 -0.765708
C -0.098278 3.895829 -1.814904
C 3.379513 -1.558261 3.401255
C -1.296580 0.221707 -3.591448
H -0.739127 -1.230985 -0.580987
H -2.107067 0.747348 0.316788
H -1.916209 0.057473 1.947729
H -5.043429 -1.531901 1.580723
H -4.107459 -0.263225 2.425404
H -2.782296 -1.205920 -1.407365
H -4.194108 -2.147107 -0.840456
H -4.772913 1.418081 0.775887
H -6.186343 0.344986 0.608664
H -5.443629 -0.244875 -1.596880
H -4.065627 0.868828 -1.392962
H 0.469313 -2.714362 0.998947
H -0.189078 -1.817301 2.405827
H -1.290345 -2.749812 1.353851
H 1.187763 0.082941 2.411623
H 1.515706 -0.241814 -2.018899
H 1.075560 2.673342 1.169294
H 4.706544 -2.085524 1.342463
H -0.953762 2.670307 -3.381828
H 3.618106 -1.320312 -2.782537
H 0.808367 4.843009 -0.072685
H 5.242121 -2.247350 -1.085176
H -0.246027 4.828550 -2.370936
H 2.891514 -1.383977 4.371641
H 3.513950 -2.644290 3.240668
H 4.360757 -1.047453 3.378697
H -1.491080 -0.837035 -3.820209
H -2.250128 0.784599 -3.597090
H -0.610627 0.645751 -4.350446


