%chk=000056782.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056782

0 1
 O   0.7683000     -0.4182000     -9.1499999E-02
 O   -2.628200     -0.5373000      0.9929000    
 O  -0.3545000      0.7877000       1.525200    
 N    3.346200      -1.662900     -0.4010000    
 C    4.424500      -2.211600      -1.223000    
 C    3.744000      -1.937000      0.9795000    
 C    4.730300      -3.538300     -0.5433000    
 C    4.279900      -3.359000      0.9032000    
 C    3.128200     -0.2448000     -0.6451000    
 C    1.972300      0.2849000      0.2123000    
 C    1.732800       1.759100     -2.9999999E-02
 C   0.8469000       2.146300      -1.020700    
 C    2.405400       2.689200      0.7438000    
 C  -0.3265000     -6.3600004E-02  0.6467000    
 C   0.6266000       3.505500      -1.244100    
 C    2.185000       4.048300      0.5204000    
 C    1.295700       4.456400     -0.4736000    
 C   -1.506300     -0.8909000      0.2089000    
 C   -3.865600     -0.6696000      0.4104000    
 C   -4.067200      -1.648000     -0.5538000    
 C   -4.896500      0.1775000      0.7941000    
 C   -5.323100      -1.781600      -1.145700    
 C   -6.152500      4.3699998E-02  0.2022000    
 C   -6.365700     -0.9359000     -0.7677000    
 H    5.316500      -1.572400      -1.204100    
 H    4.119000      -2.353500      -2.264400    
 H    2.909400      -1.889000       1.685400    
 H    4.537000      -1.259100       1.320300    
 H    4.165200      -4.354100      -1.009200    
 H    5.794400      -3.786800     -0.6088000    
 H    5.103900      -3.515900       1.606700    
 H    3.493500      -4.085800       1.138700    
 H    4.039400      0.3389000     -0.4579000    
 H    2.872900     -0.1142000      -1.705200    
 H    2.187900      0.1441000       1.279300    
 H   0.3335000       1.431200      -1.656500    
 H    3.101200       2.380600       1.518500    
 H  -6.0699999E-02   3.823800      -2.022500    
 H    2.706500       4.788800       1.119800    
 H    1.125400       5.514700     -0.6488000    
 H   -1.661700     -0.6687000     -0.8543000    
 H   -1.270400      -1.948500      0.3662000    
 H   -3.288900      -2.342200     -0.8554000    
 H   -4.733700      0.9415000       1.548800    
 H   -5.491400      -2.548200      -1.896600    
 H   -6.964600      0.7021000      0.4968000    
 H   -7.344100      -1.041000      -1.227400    


%chk=000056782-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056782

0 1
O 0.572490 0.829782 -0.238345
O -2.395432 -0.894849 0.856059
O 0.112623 -0.174851 1.834104
N 2.588333 -1.269498 -0.099588
C 3.150572 -2.321426 -0.986972
C 3.000862 -1.651492 1.279606
C 2.853289 -3.626594 -0.213066
C 2.890278 -3.202837 1.295149
C 2.896926 0.107403 -0.501686
C 1.973838 1.149386 0.179481
C 2.293508 2.567973 -0.250893
C 1.888543 3.053130 -1.519949
C 3.053351 3.407409 0.599637
C -0.183782 0.054403 0.647916
C 2.239529 4.357925 -1.929026
C 3.412760 4.710863 0.187695
C 3.006770 5.189273 -1.078939
C -1.411366 -0.434180 -0.111037
C -3.585185 -1.447150 0.345983
C -3.894199 -1.562816 -1.032287
C -4.500436 -1.900239 1.328362
C -5.129336 -2.138198 -1.415402
C -5.724896 -2.469354 0.929189
C -6.048199 -2.592986 -0.445543
H 4.255249 -2.197673 -1.127449
H 2.675380 -2.285668 -1.983852
H 2.342889 -1.174982 2.025591
H 4.055700 -1.333624 1.481585
H 1.848810 -3.999068 -0.477668
H 3.583514 -4.419556 -0.450758
H 3.746430 -3.651614 1.828424
H 1.970160 -3.524350 1.810710
H 3.955067 0.398716 -0.271815
H 2.763816 0.198513 -1.596091
H 2.025545 1.049243 1.279136
H 1.279657 2.415620 -2.170037
H 3.357771 3.044545 1.589261
H 1.914552 4.728806 -2.907671
H 3.998776 5.352412 0.855143
H 3.278756 6.201627 -1.398060
H -1.804992 0.391670 -0.735528
H -1.087869 -1.258238 -0.780930
H -3.200882 -1.213679 -1.803560
H -4.229590 -1.796260 2.383412
H -5.368511 -2.226833 -2.481284
H -6.429405 -2.818346 1.692347
H -7.001467 -3.036139 -0.751855


