%chk=000045639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045639

0 1
 N   -2.767600      0.3567000     -0.1277000    
 N   0.6574000      -1.064100      7.9099998E-02
 C   -1.451300      7.6399997E-02  0.4448000    
 C  -0.6473000     -0.8202000     -0.4881000    
 C   -3.526300       1.248900      0.7482000    
 C   -3.503300     -0.8871000     -0.3514000    
 C   0.8809000      -2.312300      0.8106000    
 C    1.695600     -0.1304000     -4.7100000E-02
 C   -2.776500       2.547600      0.9917000    
 C   -4.849500     -0.6194000      -1.002600    
 C    1.578300      -3.342500     -6.1600000E-02
 C    2.947400     -0.3854000      0.5236000    
 C    1.489700       1.064300     -0.7454000    
 C    3.980700      0.5430000      0.3975000    
 C    2.523100       1.992700     -0.8716000    
 C    3.768600       1.732000     -0.3001000    
 H   -1.543800     -0.3982000       1.431600    
 H  -0.8866000      0.9992000      0.5948000    
 H  -0.5907000     -0.4196000      -1.507700    
 H   -1.120600      -1.799900     -0.6048000    
 H   -4.471700       1.537500      0.2774000    
 H   -3.765300      0.7762000       1.709200    
 H   -2.989500      -1.533000      -1.067800    
 H   -3.642700      -1.458200      0.5749000    
 H    1.412000      -2.152900       1.755800    
 H  -8.5800000E-02  -2.732800       1.118300    
 H   -1.956700       2.431500       1.707500    
 H   -2.384500       2.974200      6.1999999E-02
 H   -3.459900       3.287400       1.424400    
 H   -5.577700     -0.2009000     -0.3011000    
 H   -4.758500      5.1300000E-02  -1.864000    
 H   -5.275500      -1.561300      -1.366900    
 H   0.9864000      -3.555800     -0.9584000    
 H    2.567600      -3.015200     -0.3926000    
 H    1.702300      -4.279900      0.4899000    
 H    3.180400      -1.287200       1.078800    
 H   0.5472000       1.324600      -1.215100    
 H    4.950900      0.3410000      0.8422000    
 H    2.359200       2.918600      -1.415300    
 H    4.573200       2.454800     -0.3984000    


%chk=000045639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045639

0 1
N -2.871577 0.211200 0.110436
N 0.734149 -1.062837 0.071392
C -1.520604 -0.078475 0.647664
C -0.606400 -0.718179 -0.432743
C -3.474134 1.457954 0.653597
C -3.780721 -0.963604 0.191456
C 0.942806 -2.449696 0.526483
C 1.769747 -0.114010 0.104700
C -2.830050 2.734319 0.079140
C -4.891338 -0.947788 -0.876781
C 1.529464 -3.381175 -0.562083
C 3.094901 -0.468280 0.518058
C 1.544956 1.250117 -0.273309
C 4.124515 0.492984 0.559138
C 2.588368 2.195924 -0.234790
C 3.890011 1.835884 0.184315
H -1.555491 -0.751206 1.540205
H -1.052708 0.861638 0.987566
H -0.539798 -0.031405 -1.295373
H -1.083002 -1.641666 -0.812966
H -4.546100 1.457441 0.384735
H -3.428049 1.480873 1.772234
H -3.167660 -1.872834 0.044102
H -4.236304 -1.056252 1.210651
H 1.592498 -2.454619 1.422337
H -0.035399 -2.847460 0.857349
H -1.760446 2.815192 0.346546
H -2.908404 2.734493 -1.022054
H -3.339033 3.633993 0.472664
H -5.561866 -0.076909 -0.763072
H -4.445792 -0.902322 -1.885699
H -5.513463 -1.859320 -0.801868
H 0.854920 -3.432936 -1.435972
H 2.508512 -3.012276 -0.913994
H 1.663534 -4.406369 -0.168308
H 3.330624 -1.498742 0.799319
H 0.552356 1.579387 -0.595244
H 5.125525 0.181954 0.881790
H 2.375669 3.229908 -0.532288
H 4.695385 2.576702 0.215269


