%chk=000113871.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113871

0 1
 O    4.459700      0.8389000     -0.4126000    
 O  -0.8862000      -2.451400      8.2300000E-02
 N   -4.343100     -3.8400002E-02  0.3655000    
 C   -5.606000     -0.7444000      0.6234000    
 C   -4.430000      0.7777000     -0.8538000    
 C   -6.766700      0.2396000      0.7785000    
 C   -5.552200       1.811200     -0.7469000    
 C   -6.889900       1.147900     -0.4395000    
 C   -3.236200     -0.9893000      0.2667000    
 C   -1.898000     -0.2636000      0.1280000    
 C  -0.7278000      -1.233100      4.8400000E-02
 C   0.6538000     -0.6812000     -7.3899999E-02
 C    5.386400      0.5082000      0.6207000    
 C   0.8171000      0.6845000     -0.1099000    
 C    1.710400      -1.559900     -0.1460000    
 C    6.797900      0.4597000      3.1599998E-02
 C    3.200400      0.3357000     -0.2996000    
 C    2.108100       1.200100     -0.2245000    
 C    3.001500      -1.044400     -0.2605000    
 C    5.285500       1.552200       1.724700    
 C    6.915200     -0.5498000      -1.102700    
 H   -5.525600      -1.324100       1.551000    
 H   -5.830000      -1.452500     -0.1854000    
 H   -4.588400      0.1485000      -1.739400    
 H   -3.522100       1.363200      -1.020200    
 H   -7.702400     -0.3117000      0.9245000    
 H   -6.612200      0.8513000       1.676600    
 H   -5.313200       2.534200      4.3600000E-02
 H   -5.627500       2.375400      -1.683600    
 H   -7.213300      0.5574000      -1.305400    
 H   -7.656900       1.910300     -0.2645000    
 H   -3.201000      -1.604700       1.175300    
 H   -3.380700      -1.679200     -0.5758000    
 H   -1.860400      0.3101000     -0.8018000    
 H   -1.754900      0.3972000      0.9905000    
 H    5.171900     -0.4751000       1.058100    
 H  -9.9999997E-05   1.394000     -5.4699998E-02
 H    1.577100      -2.636900     -0.1215000    
 H    7.522200      0.2108000      0.8158000    
 H    7.068500       1.446100     -0.3648000    
 H    2.257900       2.276100     -0.2543000    
 H    3.838600      -1.733000     -0.3371000    
 H    5.457500       2.559200       1.328700    
 H    4.284300       1.555000       2.168300    
 H    6.011800       1.360200       2.520500    
 H    6.268300     -0.2847000      -1.944700    
 H    6.644400      -1.554200     -0.7620000    
 H    7.945600     -0.5834000      -1.470700    


%chk=000113871-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113871

0 1
O 4.540232 0.891158 0.079124
O -1.024200 -2.241587 1.117935
N -4.478677 0.074772 0.181899
C -5.749214 -0.488485 0.713239
C -4.639622 0.500190 -1.233354
C -6.894864 0.540169 0.633304
C -5.751814 1.558981 -1.379582
C -7.091043 1.028986 -0.819919
C -3.350252 -0.872744 0.371048
C -1.981738 -0.188516 0.209606
C -0.814736 -1.082614 0.641392
C 0.578894 -0.558068 0.493838
C 5.754488 0.110914 0.471959
C 0.869156 0.749638 0.008478
C 1.666892 -1.396405 0.856749
C 6.911561 0.747434 -0.315626
C 3.269885 0.345271 0.256537
C 2.193415 1.197882 -0.108385
C 2.999535 -0.962997 0.746311
C 5.947201 0.182803 1.995597
C 6.785547 0.566434 -1.841778
H -5.579787 -0.788394 1.764289
H -6.047448 -1.412013 0.147492
H -4.880923 -0.381324 -1.888014
H -3.682074 0.919359 -1.592347
H -7.825680 0.084104 1.022489
H -6.645211 1.401719 1.282583
H -5.453082 2.467680 -0.821759
H -5.855281 1.837490 -2.446292
H -7.443534 0.184401 -1.447935
H -7.870016 1.813571 -0.865628
H -3.412219 -1.284760 1.394027
H -3.415186 -1.749173 -0.321385
H -1.810981 0.130498 -0.837683
H -1.978411 0.739999 0.816486
H 5.617092 -0.938801 0.137168
H 0.056645 1.425732 -0.276585
H 1.434757 -2.399279 1.231253
H 7.856609 0.296465 0.046348
H 6.949772 1.824315 -0.061448
H 2.427522 2.200155 -0.479579
H 3.809262 -1.638100 1.036831
H 6.111995 1.229032 2.308067
H 5.068849 -0.203558 2.540387
H 6.828070 -0.413328 2.296567
H 5.840883 1.005173 -2.206490
H 6.795527 -0.504305 -2.120916
H 7.621502 1.059827 -2.369396


