%chk=000044078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044078

0 1
 O   0.6529000       2.312900      0.2325000    
 N   -2.886500      4.8200000E-02 -0.3281000    
 C  -0.4832000      0.1817000      0.1734000    
 C   -1.716800      0.9138000     -0.3508000    
 C   -4.091900      0.7260000     -0.8041000    
 C   -3.216300     -0.4097000       1.021400    
 C  -0.2305000      -1.083700     -0.6450000    
 C   -5.208100     -0.1965000     -0.3369000    
 C   -4.633700     -0.9403000      0.8649000    
 C   0.9847000      -1.831800     -0.1104000    
 C   0.7408000       1.091200      0.1442000    
 C    2.195800     -0.9416000     -5.3800002E-02
 C    2.081500      0.4511000      7.2700001E-02
 C    3.474000      -1.517700     -8.6000003E-02
 C    3.228900       1.251600      0.1368000    
 C    4.615800     -0.7190000     -1.9500000E-02
 C    4.492800      0.6639000      8.8600002E-02
 H  -0.6165000     -7.9000004E-02   1.231600    
 H   -1.530200       1.248800      -1.379900    
 H   -1.890900       1.821700      0.2429000    
 H   -4.096500      0.8451000      -1.892200    
 H   -4.212700       1.715000     -0.3435000    
 H   -3.208600      0.4146000       1.746300    
 H   -2.555900      -1.203400       1.383800    
 H  -6.2500000E-02 -0.8216000      -1.698600    
 H   -1.086400      -1.766800     -0.6174000    
 H   -5.475600     -0.9127000      -1.122700    
 H   -6.109800      0.3653000     -7.3299997E-02
 H   -5.228000     -0.7700000       1.768400    
 H   -4.627300      -2.018200      0.6646000    
 H    1.180900      -2.692600     -0.7608000    
 H   0.7805000      -2.214300      0.8971000    
 H    3.587300      -2.596200     -0.1665000    
 H    3.160200       2.332100      0.2294000    
 H    5.600400      -1.176100     -5.0500002E-02
 H    5.382100       1.285300      0.1405000    


%chk=000044078-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044078

0 1
O 0.665623 2.327591 0.304001
N -2.924990 0.064823 -0.205272
C -0.444373 0.147265 0.144836
C -1.720616 0.917410 -0.264616
C -4.126710 0.662350 -0.842452
C -3.361246 -0.319519 1.164156
C -0.177307 -1.094263 -0.739562
C -5.258890 -0.304304 -0.429371
C -4.826056 -0.817573 0.984904
C 1.047825 -1.873984 -0.223194
C 0.782828 1.070455 0.180897
C 2.276208 -0.983214 -0.104921
C 2.134106 0.424637 0.086095
C 3.580933 -1.528809 -0.180152
C 3.287559 1.247761 0.201178
C 4.722280 -0.706869 -0.061313
C 4.576573 0.690082 0.131328
H -0.572890 -0.216824 1.191124
H -1.600246 1.273006 -1.306282
H -1.816039 1.826237 0.377167
H -3.990372 0.734138 -1.936449
H -4.334392 1.692928 -0.453537
H -3.332342 0.559479 1.858323
H -2.698705 -1.097516 1.586008
H -0.002619 -0.767784 -1.784673
H -1.083216 -1.725381 -0.744198
H -5.310303 -1.146420 -1.140851
H -6.243995 0.193672 -0.417712
H -5.473388 -0.414120 1.783128
H -4.885117 -1.918125 1.035868
H 1.270928 -2.736995 -0.878076
H 0.808512 -2.296807 0.776610
H 3.701386 -2.607592 -0.338073
H 3.135257 2.322659 0.345633
H 5.722798 -1.150017 -0.123946
H 5.461697 1.328724 0.222498


