%chk=000114145.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114145

2 1
 N    5.090200      0.7290000     -0.3523000    
 N   0.6318000     -0.9936000      0.7592000    
 N   -3.068500      -1.467900     -0.7281000    
 C    4.279100      0.1206000      0.7283000    
 C    2.868500     -0.1746000      0.2376000    
 C    1.965100     -0.7585000       1.320100    
 C    6.519200       1.016500      0.1314000    
 C    5.178700     -0.2094000      -1.564700    
 C    4.471700       2.054200     -0.8213000    
 C   -1.504200     -0.2521000      0.3018000    
 C  -0.2458000      8.8999998E-03  0.8467000    
 C   -1.769000      -1.490200     -0.2805000    
 C   -2.702300      0.5282000      0.1893000    
 C   0.4055000      -2.188700      0.2077000    
 C   -3.657600     -0.2567000     -0.4560000    
 C  -0.8199000      -2.502100     -0.3471000    
 C   -3.059000       1.836300      0.5805000    
 C   -4.952500      0.1977000     -0.7309000    
 C   -4.349800       2.305700      0.3124000    
 C   -5.281200       1.496600     -0.3337000    
 H    4.259500      0.8182000       1.574400    
 H    4.777200     -0.8005000       1.054500    
 H    2.378600      0.7301000     -0.1343000    
 H    2.883300     -0.8896000     -0.5912000    
 H    1.873300     -7.8100003E-02   2.175200    
 H    2.360700      -1.705600       1.705800    
 H    6.970100      6.8800002E-02  0.4397000    
 H    7.086900       1.463000     -0.6902000    
 H    6.458300       1.707600      0.9772000    
 H    5.489400      -1.197900      -1.214200    
 H    4.213200     -0.2512000      -2.074400    
 H    5.924500      0.1976000      -2.255100    
 H    5.195600       2.554500      -1.472600    
 H    3.561600       1.860300      -1.393500    
 H    4.268200       2.671300      5.8600001E-02
 H   5.3300001E-02  0.9386000       1.314000    
 H    1.222500      -2.902000      0.2069000    
 H   -1.022300      -3.464300     -0.8000000    
 H   -3.528300      -2.238000      -1.194000    
 H   -2.343900       2.479700       1.085500    
 H   -5.678200     -0.4323000      -1.234400    
 H   -4.626900       3.312700      0.6125000    
 H   -6.278800       1.879700     -0.5327000    


%chk=000114145-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114145

2 1
N 5.357227 0.727049 -0.389707
N 0.577199 -0.893965 0.639693
N -3.288285 -1.548858 -0.676438
C 4.290774 0.191925 0.599416
C 2.889723 -0.070458 0.007598
C 1.955060 -0.595008 1.136043
C 6.667415 0.904257 0.393771
C 5.599120 -0.262823 -1.531609
C 4.944369 2.083492 -0.966465
C -1.700135 -0.200176 0.278878
C -0.414637 0.069498 0.742215
C -1.969556 -1.508621 -0.308731
C -2.945668 0.550741 0.244377
C 0.317055 -2.140947 0.079796
C -3.920388 -0.315400 -0.357462
C -0.945612 -2.480300 -0.403652
C -3.328161 1.849210 0.659764
C -5.256843 0.070070 -0.558676
C -4.665394 2.246734 0.462925
C -5.614214 1.369975 -0.137721
H 4.236229 0.939698 1.411253
H 4.713983 -0.738045 1.020499
H 2.453301 0.852116 -0.415253
H 2.933452 -0.825640 -0.797680
H 1.869314 0.149287 1.946803
H 2.363466 -1.519490 1.581106
H 6.981505 -0.069320 0.800186
H 7.441692 1.288989 -0.286909
H 6.505362 1.620252 1.214038
H 5.863621 -1.244773 -1.109905
H 4.695290 -0.343284 -2.152033
H 6.430865 0.107775 -2.149845
H 5.772918 2.473779 -1.576689
H 4.053793 1.963713 -1.599629
H 4.735892 2.780021 -0.139898
H -0.136277 1.015596 1.211648
H 1.148271 -2.848504 0.061088
H -1.109573 -3.475745 -0.822385
H -3.762861 -2.345012 -1.106597
H -2.614558 2.535313 1.127228
H -5.994802 -0.595461 -1.016048
H -4.987100 3.243833 0.777271
H -6.645032 1.711007 -0.274166


