%chk=000052549.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052549

0 1
 N   -4.264200     -0.1671000     -0.4376000    
 N    2.285500       1.879600     -0.5709000    
 C  -0.8535000      0.8364000      0.9756000    
 C   -1.911900      0.4094000     -6.0100000E-02
 C   0.4958000      0.9901000      0.3951000    
 C   -3.287600      0.2153000      0.5753000    
 C    1.491900     -2.0400001E-02  0.2877000    
 C    2.604400      0.5637000     -0.3217000    
 C    1.013300       2.146700     -0.1413000    
 C    1.553800      -1.380300      0.6516000    
 C    3.780500     -0.1469000     -0.5864000    
 C   -5.591900     -0.3221000      0.1591000    
 C   -3.858700      -1.406700      -1.102600    
 C    2.723800      -2.103600      0.3928000    
 C    3.818800      -1.494300     -0.2166000    
 H   -1.164900       1.783600       1.435000    
 H  -0.8256000      0.1021000       1.790500    
 H   -1.967500       1.160900     -0.8588000    
 H   -1.546900     -0.5177000     -0.5159000    
 H   -3.226000     -0.5356000       1.374000    
 H   -3.592400       1.160700       1.041500    
 H   0.5919000       3.135700     -0.2571000    
 H    2.901900       2.550700      -1.008000    
 H   0.7090000      -1.871200       1.126200    
 H    4.633500      0.3264000      -1.060900    
 H   -5.911300      0.6117000      0.6351000    
 H   -5.616900      -1.119200      0.9110000    
 H   -6.337100     -0.5499000     -0.6113000    
 H   -3.020700      -1.248000      -1.788200    
 H   -4.670800      -1.780700      -1.738500    
 H   -3.603900      -2.201400     -0.3920000    
 H    2.777200      -3.152800      0.6708000    
 H    4.717500      -2.075000     -0.4083000    


%chk=000052549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052549

0 1
N -4.259469 -0.334328 -0.438205
N 2.471893 2.007929 -0.424422
C -0.874958 0.996467 0.954626
C -1.847641 0.340908 -0.065910
C 0.536018 1.131552 0.435316
C -3.244371 0.113488 0.546136
C 1.500329 0.055960 0.255209
C 2.704288 0.635099 -0.285118
C 1.167998 2.300332 0.012050
C 1.466446 -1.341972 0.507765
C 3.851314 -0.136214 -0.576841
C -5.625758 -0.273382 0.120847
C -3.968547 -1.663370 -1.013374
C 2.606799 -2.116962 0.220505
C 3.786262 -1.520639 -0.317997
H -1.268619 1.993034 1.235882
H -0.872983 0.388647 1.883828
H -1.947194 0.988998 -0.956626
H -1.410305 -0.614715 -0.410873
H -3.155114 -0.609381 1.403581
H -3.601821 1.071063 0.975084
H 0.784780 3.319272 -0.011188
H 3.141747 2.687585 -0.776299
H 0.567760 -1.811245 0.924701
H 4.760974 0.316469 -0.987814
H -5.840495 0.753289 0.468219
H -5.786438 -0.970453 0.984085
H -6.361035 -0.529656 -0.663239
H -3.004037 -1.649299 -1.547460
H -4.753996 -1.925530 -1.744654
H -3.928666 -2.476683 -0.242016
H 2.594629 -3.195903 0.411678
H 4.657210 -2.150260 -0.532378


