%chk=000183738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183738

0 1
O -0.631283 0.335398 -0.318783
C 5.733567 0.039084 0.397395
C 5.001129 0.574695 -0.856427
C 7.226660 0.424033 0.329598
C 5.519793 -1.478430 0.575694
C 3.507588 0.544480 -0.690838
C 7.957657 0.171932 1.646024
C 6.124918 -2.341643 -0.528325
C 2.854946 1.557877 0.021250
C 2.750099 -0.505001 -1.247754
C 1.464626 1.546583 0.184540
C 1.369151 -0.540883 -1.101097
C 0.736853 0.494811 -0.381277
C -6.974069 -0.222921 -0.111179
C -5.530088 0.174880 0.023794
C -1.398064 1.337485 0.418263
C -2.832883 0.910845 0.281632
C -7.212787 -1.620881 0.483950
C -5.087911 0.858554 1.167666
C -4.609584 -0.143190 -0.986638
C -3.746629 1.221779 1.299108
C -3.269310 0.225499 -0.860547
C -8.672636 -2.046424 0.357956
H 5.288218 0.541803 1.293620
H 5.331386 1.612024 -1.067962
H 5.308866 -0.011756 -1.745374
H 7.319978 1.494677 0.060653
H 7.722750 -0.134821 -0.487435
H 4.430211 -1.676806 0.642485
H 5.940382 -1.786058 1.553576
H 9.004851 0.487717 1.582773
H 7.498003 0.719980 2.476040
H 7.951545 -0.891851 1.912144
H 5.897485 -3.401234 -0.367921
H 7.215881 -2.240467 -0.565285
H 5.735817 -2.066018 -1.515096
H 3.432588 2.371675 0.458876
H 3.253345 -1.300525 -1.797589
H 0.982746 2.343004 0.739144
H 0.768346 -1.343065 -1.522249
H -7.283567 -0.209257 -1.175846
H -7.630846 0.516830 0.389335
H -1.049766 1.336713 1.466764
H -1.224025 2.325478 -0.048542
H -6.906007 -1.629378 1.548699
H -6.558198 -2.357503 -0.023112
H -5.792946 1.103039 1.959922
H -4.939587 -0.681480 -1.873334
H -3.416244 1.745572 2.194043
H -2.549292 -0.026326 -1.642034
H -8.830885 -3.043693 0.784735
H -8.995071 -2.084394 -0.688858
H -9.343207 -1.356338 0.882526


%chk=000183738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183738

0 1
O -0.633198 0.111377 -0.347087
C 5.897389 0.171236 0.398094
C 5.102592 0.620321 -0.872254
C 7.398008 0.534120 0.228655
C 5.657296 -1.323806 0.754676
C 3.590604 0.516259 -0.733917
C 8.273270 0.236419 1.465435
C 6.228731 -2.348635 -0.252800
C 2.863619 1.457690 0.035393
C 2.857782 -0.533983 -1.350115
C 1.462127 1.367816 0.196778
C 1.461821 -0.643184 -1.204985
C 0.757374 0.309454 -0.429345
C -7.167178 -0.120503 -0.039351
C -5.686882 0.211486 0.069159
C -1.414113 1.100738 0.415519
C -2.883455 0.749861 0.299406
C -7.485474 -1.583502 0.383518
C -5.141888 0.742085 1.265834
C -4.799171 -0.048880 -1.007506
C -3.758724 1.002044 1.383077
C -3.418050 0.217997 -0.899536
C -8.987516 -1.916860 0.263891
H 5.506269 0.768483 1.251613
H 5.384041 1.671258 -1.087739
H 5.442903 0.023348 -1.740747
H 7.468067 1.615970 -0.008682
H 7.809370 0.002394 -0.653363
H 4.566792 -1.486253 0.856929
H 6.091269 -1.525418 1.753893
H 9.307272 0.598357 1.315022
H 7.869463 0.735528 2.367033
H 8.327758 -0.846686 1.677948
H 5.987105 -3.379244 0.066181
H 7.328828 -2.275189 -0.334435
H 5.807394 -2.209968 -1.265685
H 3.399693 2.285810 0.516499
H 3.391169 -1.276950 -1.955752
H 0.942405 2.117525 0.800645
H 0.898827 -1.452250 -1.680776
H -7.515462 0.027001 -1.080868
H -7.760165 0.566081 0.596811
H -1.094784 1.100196 1.478056
H -1.215400 2.110846 -0.005221
H -7.144185 -1.739589 1.425757
H -6.892723 -2.277462 -0.244342
H -5.806376 0.948915 2.114090
H -5.198376 -0.461213 -1.942876
H -3.360635 1.404361 2.323486
H -2.742183 0.003474 -1.733319
H -9.192521 -2.960286 0.565438
H -9.340849 -1.789473 -0.776921
H -9.595432 -1.253012 0.907490


