%chk=000296194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296194

0 1
O 2.180075 -2.587466 -2.387808
O -3.070026 -1.056636 1.811056
O -4.388217 0.966563 0.119316
N 2.193404 1.361099 0.165474
C 1.308805 0.162573 -0.032386
C 1.728405 -0.599177 1.242099
C 1.649657 -0.576708 -1.346217
C 2.082943 1.753702 1.611212
C 1.916196 0.402758 2.349171
C -0.212083 0.410654 0.002755
C 2.431655 -1.882613 -1.142778
C 2.194924 2.475886 -0.800653
C 1.899145 -2.724693 0.032660
C 1.984703 -1.908150 1.284046
C -0.860373 1.381817 -0.786924
C 0.860702 3.188320 -1.055869
C -0.130642 2.261454 -1.764514
C -0.998309 -0.411429 0.826552
C -2.250198 1.564722 -0.690531
C -2.382307 -0.246047 0.908963
C -3.017190 0.764752 0.159368
C 3.147716 -3.598316 -2.712962
C -3.927984 -2.033937 1.159231
C -5.010493 1.189304 1.414329
H 2.227422 0.082785 -2.023700
H 0.718672 -0.820879 -1.903910
H 1.233959 2.432845 1.820185
H 3.016516 2.271446 1.903349
H 1.046002 0.416221 3.030047
H 2.801174 0.167457 2.965134
H 3.519603 -1.692297 -1.032670
H 2.589142 2.065004 -1.761420
H 2.952501 3.215089 -0.452247
H 2.470773 -3.665416 0.123648
H 0.851130 -3.029102 -0.171073
H 2.285335 -2.424163 2.189431
H 1.037622 4.090208 -1.672399
H 0.427551 3.556055 -0.105583
H 0.390061 1.630905 -2.516169
H -0.847292 2.869542 -2.354722
H -0.554899 -1.211361 1.425141
H -2.755205 2.329532 -1.279946
H 3.135020 -4.399091 -1.968489
H 4.146213 -3.161489 -2.807149
H 2.793764 -3.967956 -3.683347
H -3.312538 -2.744833 0.601471
H -4.647679 -1.531853 0.503589
H -4.421327 -2.515534 2.009418
H -4.718972 2.177426 1.780274
H -4.731153 0.404771 2.127687
H -6.076602 1.152152 1.168059


%chk=000296194-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296194

0 1
O 2.568686 -2.535419 -2.545337
O -3.242077 -1.086923 1.860399
O -4.527760 1.048711 0.293813
N 2.094054 1.256451 0.130776
C 1.222131 0.048951 -0.064510
C 1.682316 -0.710080 1.192076
C 1.522111 -0.731773 -1.383669
C 2.000586 1.655920 1.558331
C 1.799036 0.305406 2.318949
C -0.314651 0.357147 0.014749
C 2.541475 -1.871847 -1.227752
C 2.203768 2.330780 -0.863876
C 2.127670 -2.824044 -0.078412
C 2.077378 -2.005157 1.202671
C -0.947393 1.371612 -0.773674
C 0.914959 3.140587 -1.162689
C -0.207053 2.260606 -1.770477
C -1.125412 -0.440379 0.859195
C -2.343719 1.567888 -0.634962
C -2.517149 -0.251829 0.972388
C -3.135342 0.791396 0.234760
C 3.686199 -3.461518 -2.713554
C -4.259669 -1.937226 1.200278
C -5.013106 1.475844 1.626241
H 1.878195 -0.049644 -2.174381
H 0.587007 -1.188863 -1.755768
H 1.147603 2.344275 1.764249
H 2.930602 2.174535 1.858687
H 0.879244 0.341168 2.932562
H 2.643001 0.070395 2.988929
H 3.549908 -1.458975 -0.999854
H 2.571317 1.899518 -1.816271
H 2.999218 3.017020 -0.510188
H 2.854206 -3.649836 0.033872
H 1.149793 -3.283589 -0.330561
H 2.467320 -2.448968 2.128511
H 1.174355 3.943059 -1.883169
H 0.546350 3.638575 -0.244962
H 0.235205 1.640865 -2.577462
H -0.948664 2.916335 -2.263098
H -0.677097 -1.248972 1.445928
H -2.849093 2.349585 -1.213474
H 3.586451 -4.364639 -2.076406
H 4.657409 -2.970707 -2.487223
H 3.670855 -3.767443 -3.772155
H -3.768107 -2.658740 0.520047
H -4.982072 -1.322560 0.633201
H -4.766533 -2.476810 2.015117
H -4.565110 2.450561 1.898998
H -4.767137 0.723198 2.397044
H -6.103965 1.581453 1.522309


