%chk=000057898.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057898

0 1
 O    1.048900      0.3197000     -0.2821000    
 O    2.738800       2.486800     -0.8349000    
 O   0.5837000      -1.767600      -1.134200    
 N    5.267300      0.1136000      0.4634000    
 N   -5.191100      0.5461000      0.5163000    
 C    3.198300       1.368700     -6.9899999E-02
 C    4.713500       1.254600     -0.2530000    
 C    6.699600     -4.8000002E-03  0.2269000    
 C    2.438800      0.1240000     -0.5237000    
 C    7.272000      -1.207200      0.9704000    
 C   -6.270500     -0.3530000      0.2483000    
 C    8.761000      -1.402300      0.7197000    
 C   -3.845700      0.2348000      0.2294000    
 C   -7.607700      0.2861000      0.6082000    
 C   -1.184200     -0.3814000     -0.3356000    
 C   0.2323000     -0.7095000     -0.6360000    
 C   -3.520800     -0.9959000     -0.3411000    
 C   -2.840000       1.157400      0.5174000    
 C   -2.190100      -1.304000     -0.6237000    
 C   -1.509300      0.8493000      0.2349000    
 C   -8.795000     -0.6152000      0.2990000    
 H    2.961500       1.585700      0.9789000    
 H    5.182000       2.188100      8.4700003E-02
 H    4.932000       1.173900      -1.326100    
 H    6.892000     -0.1263000     -0.8460000    
 H    7.216500      0.9041000      0.5582000    
 H    5.085500      0.2114000       1.461800    
 H    2.587600     -3.3300001E-02  -1.598800    
 H    2.774200     -0.7618000      2.6500000E-02
 H    6.743500      -2.118800      0.6646000    
 H    7.108400      -1.090500       2.048800    
 H   -6.151900      -1.276400      0.8282000    
 H   -6.290800     -0.6176000     -0.8160000    
 H    8.960200      -1.564500     -0.3444000    
 H    9.128300      -2.273000       1.271800    
 H    9.329900     -0.5262000       1.046600    
 H   -7.726200       1.229500      6.0699999E-02
 H   -7.619900      0.5413000       1.675100    
 H   -5.380000       1.448500      0.9388000    
 H    1.775500       2.545600     -0.7134000    
 H   -4.271100      -1.743800     -0.5792000    
 H   -3.080600       2.119700      0.9622000    
 H   -1.957100      -2.268200      -1.067600    
 H  -0.7588000       1.596900      0.4754000    
 H   -8.729300      -1.553300      0.8593000    
 H   -9.730500     -0.1183000      0.5742000    
 H   -8.836900     -0.8539000     -0.7684000    


%chk=000057898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057898

0 1
O 1.111194 0.359168 -0.281606
O 2.812292 2.552399 -0.948653
O 0.594187 -1.627007 -1.393306
N 5.396161 0.296340 0.505159
N -5.250898 0.465504 0.601150
C 3.275129 1.393410 -0.169543
C 4.792025 1.295043 -0.403487
C 6.799867 -0.059732 0.198015
C 2.548135 0.119784 -0.599487
C 7.333082 -1.113300 1.188671
C -6.393544 -0.362356 0.196390
C 8.794643 -1.513762 0.895081
C -3.929986 0.198661 0.273536
C -7.712922 0.223361 0.736891
C -1.191094 -0.310406 -0.378099
C 0.205388 -0.621521 -0.744435
C -3.566264 -0.939505 -0.514089
C -2.890375 1.072927 0.728301
C -2.220594 -1.180995 -0.826805
C -1.551071 0.821560 0.407647
C -8.934295 -0.625107 0.326556
H 3.074234 1.565040 0.912597
H 5.216701 2.321628 -0.301819
H 4.976196 0.975780 -1.447239
H 6.829003 -0.474586 -0.829397
H 7.484015 0.827609 0.203043
H 5.297274 0.579751 1.491377
H 2.649035 -0.059390 -1.685121
H 2.917038 -0.760039 -0.045974
H 6.673625 -2.000745 1.146352
H 7.260341 -0.712905 2.221768
H -6.268693 -1.399472 0.575649
H -6.445760 -0.427699 -0.911682
H 8.892758 -1.939819 -0.121127
H 9.153166 -2.272502 1.613939
H 9.470510 -0.640137 0.960188
H -7.834241 1.258468 0.358698
H -7.657111 0.285904 1.842409
H -5.446563 1.291291 1.167610
H 1.820386 2.525888 -0.955349
H -4.336192 -1.626957 -0.876084
H -3.152386 1.947779 1.336911
H -1.936848 -2.051590 -1.428112
H -0.765469 1.492480 0.766676
H -8.850100 -1.657896 0.712559
H -9.869228 -0.191924 0.723552
H -9.028953 -0.681423 -0.773713


