%chk=000052673.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052673

0 1
 N  -0.6401000     -0.1260000     -0.9381000    
 N    2.631500      0.3486000     -0.6903000    
 C    1.401200      9.3300000E-02  -1.394900    
 C   0.2703000       1.044600     -0.9790000    
 C   0.5461000     -0.9904000     -0.7232000    
 C   -1.484900     -8.9599997E-02  0.2623000    
 C   -2.424400      -1.289300      0.3129000    
 C   -2.142600       1.265200      0.4600000    
 C   -3.686000      -1.379000     -0.3124000    
 C   -3.115900       1.756700     -0.4273000    
 C   -4.390200     -0.2894000      -1.094600    
 C   -3.594400      0.9167000      -1.579200    
 C    3.672200     -0.5805000      -1.104700    
 C   -1.943400      -2.419400       1.018200    
 C   -1.746900       2.069600       1.544300    
 C   -4.424200      -2.578500     -0.1756000    
 C   -3.670200       3.029800     -0.2169000    
 C   -2.685700      -3.593700       1.129100    
 C   -2.304900       3.332200       1.744300    
 C    4.966200     -0.3353000     -0.3751000    
 C   -3.932500      -3.672500      0.5324000    
 C   -3.265800       3.813000      0.8626000    
 C    5.896100      0.5455000     -0.9099000    
 C    5.211200     -0.9936000      0.8219000    
 C    7.095100      0.7723000     -0.2341000    
 C    6.410100     -0.7667000       1.497800    
 C    7.352000      0.1163000      0.9696000    
 H    1.489500     -8.1000002E-03  -2.484800    
 H   0.4677000       1.556000     -2.7899999E-02
 H   7.3000002E-03   1.798000      -1.728800    
 H   0.5099000      -1.942700      -1.262800    
 H   0.8216000      -1.202200      0.3186000    
 H  -0.8404000     -0.1913000       1.149400    
 H    2.968700       1.303200     -0.8184000    
 H   -4.824300     -0.7547000      -1.990500    
 H   -5.232400      6.1500002E-02 -0.4821000    
 H   -4.245200       1.520800      -2.225100    
 H   -2.758100      0.6166000      -2.218300    
 H    3.851200     -0.5002000      -2.185400    
 H    3.356200      -1.617000     -0.9281000    
 H  -0.9695000      -2.390600       1.503400    
 H  -0.9928000       1.720400       2.246200    
 H   -5.409000      -2.662700     -0.6330000    
 H   -4.428600       3.418300     -0.8923000    
 H   -2.288600      -4.439400       1.682100    
 H   -1.986800       3.939200       2.586800    
 H   -4.523500      -4.579400      0.6149000    
 H   -3.702600       4.795400       1.015400    
 H    5.705200       1.062900      -1.845900    
 H    4.483600      -1.681800       1.242800    
 H    7.828400       1.460100     -0.6449000    
 H    6.610100      -1.277000       2.435400    
 H    8.285500      0.2932000       1.495900    


%chk=000052673-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052673

0 1
N -0.635963 0.348177 -0.628373
N 2.755059 0.550093 -0.645969
C 1.412155 0.541047 -1.235936
C 0.364565 1.480258 -0.559478
C 0.483872 -0.651132 -0.817898
C -1.562890 0.165637 0.529610
C -2.301250 -1.178431 0.410853
C -2.465531 1.391824 0.680552
C -3.412218 -1.436543 -0.449630
C -3.349621 1.789833 -0.363364
C -4.132290 -0.422461 -1.348089
C -3.465736 0.948016 -1.620463
C 3.690104 -0.421856 -1.257018
C -1.803953 -2.236389 1.220581
C -2.402098 2.156506 1.868616
C -3.959971 -2.749857 -0.460682
C -4.138548 2.951638 -0.185628
C -2.361076 -3.530304 1.199201
C -3.201299 3.309768 2.041414
C 5.044010 -0.438313 -0.556606
C -3.453642 -3.790255 0.342512
C -4.071655 3.712295 1.004825
C 6.234117 -0.626863 -1.302979
C 5.134645 -0.293355 0.851557
C 7.490712 -0.682230 -0.657516
C 6.389756 -0.342461 1.498075
C 7.572564 -0.539661 0.746841
H 1.413934 0.667416 -2.343451
H 0.676961 1.725488 0.480919
H 0.056814 2.397926 -1.087607
H 0.266449 -1.446170 -1.549665
H 0.848369 -1.094252 0.135355
H -0.954346 0.101113 1.468319
H 3.158864 1.497282 -0.615778
H -4.316865 -0.914207 -2.324205
H -5.134565 -0.239379 -0.906398
H -4.076217 1.484025 -2.371632
H -2.457952 0.776518 -2.040199
H 3.846107 -0.248482 -2.351103
H 3.216713 -1.422372 -1.171330
H -0.958315 -2.029462 1.888423
H -1.720412 1.843263 2.669440
H -4.814046 -2.951032 -1.120720
H -4.816511 3.260560 -0.991122
H -1.951059 -4.319678 1.838590
H -3.140923 3.887297 2.970574
H -3.906416 -4.787402 0.303051
H -4.692539 4.607975 1.121017
H 6.177732 -0.729880 -2.394184
H 4.212733 -0.136729 1.421521
H 8.402070 -0.829350 -1.248296
H 6.446827 -0.228800 2.586932
H 8.545776 -0.578251 1.249241


