%chk=000059838.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059838

0 1
 O   -2.826800      0.2301000       1.966400    
 N    1.487600     -0.1103000      0.4115000    
 N    4.307800     -8.7700002E-02 -4.1400000E-02
 N   -2.110300      0.6822000     -0.1903000    
 N    6.476800     -0.4491000      0.9138000    
 N   -8.270800     -0.6018000      -1.196500    
 C    2.078500      0.8285000     -0.5498000    
 C    2.250400      -1.364800      0.4177000    
 C    3.530900       1.147000     -0.1863000    
 C    3.707900      -1.119100      0.8145000    
 C   8.5000001E-02 -0.3647000      8.4600002E-02
 C  -0.7148000      0.9329000      0.1531000    
 C    5.702900     -4.5800000E-02 -0.1408000    
 C    6.274400      0.4151000      -1.335000    
 C   -3.047700      0.3495000      0.7641000    
 C   -4.418900      9.9699996E-02  0.2497000    
 C    7.659400      0.4627000      -1.449100    
 C   -4.770800      -1.182200     -0.1275000    
 C   -5.305600       1.156000      0.1624000    
 C    7.819200     -0.3886000      0.7660000    
 C    8.453700      5.4900002E-02 -0.3832000    
 C   -6.058300      -1.416700     -0.6103000    
 C   -6.593100      0.9214000     -0.3204000    
 C   -6.969400     -0.3650000     -0.7068000    
 C   -3.817100      -2.328700     -3.4800000E-02
 C   -4.931000       2.544300      0.5684000    
 H    1.571500       1.796600     -0.5521000    
 H    2.032700      0.4248000      -1.570200    
 H    2.214900      -1.844800     -0.5697000    
 H    1.813700      -2.067300       1.137900    
 H    3.946200       1.794700     -0.9670000    
 H    3.571300       1.710000      0.7552000    
 H    3.766900     -0.8055000       1.864700    
 H    4.254500      -2.065500      0.7175000    
 H  -1.9400001E-02 -0.8188000     -0.9101000    
 H  -0.3391000      -1.077700      0.8034000    
 H  -0.6638000       1.377800       1.153200    
 H  -0.3973000       1.677600     -0.5793000    
 H   -2.383800      0.7430000      -1.167100    
 H    5.659600      0.7219000      -2.176000    
 H    8.119100      0.8137000      -2.368000    
 H    8.393400     -0.7179000       1.625700    
 H    9.535200      8.2599998E-02 -0.4501000    
 H   -6.356600      -2.417900     -0.9135000    
 H   -7.307000       1.738400     -0.3983000    
 H   -3.466400      -2.456800      0.9946000    
 H   -4.284300      -3.272900     -0.3353000    
 H   -2.957500      -2.167300     -0.6935000    
 H   -4.606700       2.566400       1.614100    
 H   -4.127400       2.926900     -6.9200002E-02
 H   -5.775200       3.236800      0.4793000    
 H   -8.545100      -1.534600      -1.474600    
 H   -8.932600      0.1599000      -1.264400    


%chk=000059838-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059838

0 1
O -2.603970 -0.489174 1.755415
N 1.547539 0.139185 0.247136
N 4.429023 0.192149 0.146396
N -2.187256 0.802503 -0.122965
N 6.368722 -1.130277 0.325272
N -8.469511 -0.640146 -1.091857
C 2.256310 0.991695 -0.734077
C 2.336000 -1.091990 0.513220
C 3.652877 1.389775 -0.210166
C 3.723843 -0.728369 1.065312
C 0.139768 -0.130777 -0.120150
C -0.786102 1.056737 0.248291
C 5.790244 0.039241 -0.118277
C 6.566965 1.022910 -0.818427
C -3.033823 0.048445 0.682566
C -4.449727 -0.100545 0.184839
C 7.924992 0.763534 -1.071180
C -4.999576 -1.418328 0.068388
C -5.271400 1.034239 -0.099339
C 7.685374 -1.349924 0.068930
C 8.515259 -0.447266 -0.629566
C -6.328600 -1.581657 -0.367201
C -6.606654 0.841191 -0.516414
C -7.152643 -0.461141 -0.668433
C -4.173685 -2.650923 0.397159
C -4.779022 2.468174 0.066593
H 1.672922 1.913685 -0.911653
H 2.376591 0.466863 -1.717541
H 2.460373 -1.709817 -0.411901
H 1.797745 -1.699094 1.263357
H 4.168765 1.963347 -0.996107
H 3.528823 2.046138 0.678326
H 3.596172 -0.236488 2.053349
H 4.353965 -1.621549 1.191229
H 0.024033 -0.372644 -1.207288
H -0.212319 -1.006743 0.452849
H -0.731092 1.204416 1.340233
H -0.455112 1.987311 -0.248028
H -2.545693 1.149072 -1.013299
H 6.132620 1.970902 -1.144998
H 8.524892 1.509893 -1.604335
H 8.083907 -2.298960 0.448649
H 9.569425 -0.675520 -0.808568
H -6.737990 -2.594746 -0.468607
H -7.238079 1.717320 -0.713485
H -3.904409 -2.663726 1.467220
H -4.726865 -3.573759 0.152448
H -3.219077 -2.662574 -0.161617
H -4.064855 2.568784 0.900784
H -4.271859 2.841611 -0.845318
H -5.629552 3.144790 0.259749
H -8.866451 -1.571123 -1.176013
H -9.065128 0.157254 -1.293700


