%chk=000012545.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012545

0 1
 O    2.541000      -1.759100      0.6460000    
 O    4.602000     -3.3399999E-02  0.5530000    
 N   -3.054400       1.603300     -0.1269000    
 C   -1.689700       1.122100      0.2117000    
 C   -1.520800     -0.3873000      7.7999998E-03
 C  -0.6088000       1.859200     -0.6115000    
 C   -2.652600      -1.225100     -3.4000002E-02
 C   -4.060600      0.7788000      0.5613000    
 C   -4.038500     -0.6443000      1.1500000E-02
 C  -0.2162000     -0.9376000     -7.3700003E-02
 C   0.7758000       1.338200     -0.2972000    
 C   0.9585000     -3.6699999E-02 -3.4299999E-02
 C   -3.255300       3.008800      0.2415000    
 C   -2.492700      -2.605500     -0.1872000    
 C  -9.5399998E-02  -2.330900     -0.2247000    
 C    1.869800       2.217100     -0.3109000    
 C    2.261500     -0.4791000      0.2564000    
 C   -1.220000      -3.155100     -0.2788000    
 C    3.344800      0.4045000      0.2577000    
 C    3.150200       1.750100     -3.1399999E-02
 C    5.401200     -0.4879000     -0.5365000    
 H   -1.504200       1.303700       1.281900    
 H  -0.6310000       2.931700     -0.3899000    
 H  -0.7864000       1.737700      -1.688400    
 H   -5.068100       1.182300      0.3998000    
 H   -3.885300      0.7734000       1.645900    
 H   -4.446700     -0.6519000      -1.007400    
 H   -4.686200      -1.272700      0.6346000    
 H   -2.634100       3.674600     -0.3645000    
 H   -3.042500       3.193300       1.300600    
 H   -4.289200       3.315200      4.3299999E-02
 H   -3.360500      -3.257400     -0.2444000    
 H   0.8549000      -2.826600     -0.3875000    
 H    1.726500       3.271200     -0.5340000    
 H   -1.100700      -4.226100     -0.4158000    
 H    3.988200       2.441600     -3.4800000E-02
 H    1.870700      -2.021700       1.300300    
 H    4.923700      -1.335100      -1.039000    
 H    6.366400     -0.8154000     -0.1405000    
 H    5.573200      0.3238000      -1.250400    


%chk=000012545-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012545

0 1
O 2.580267 -1.541622 0.744031
O 4.683731 0.369968 0.492882
N -3.068263 1.599532 0.066821
C -1.654865 1.153211 0.185212
C -1.496761 -0.355487 -0.034536
C -0.723603 1.866821 -0.830230
C -2.608289 -1.230006 -0.087417
C -3.989023 0.687900 0.791594
C -4.013267 -0.683619 0.102726
C -0.171255 -0.859191 -0.233671
C 0.715291 1.456197 -0.566294
C 0.970146 0.097550 -0.209576
C -3.253649 3.002116 0.498026
C -2.403506 -2.611485 -0.334124
C 0.002496 -2.241528 -0.527309
C 1.779597 2.378384 -0.620653
C 2.287990 -0.278594 0.187325
C -1.108420 -3.112285 -0.568199
C 3.365531 0.648288 0.091199
C 3.097994 1.969944 -0.325728
C 5.308097 -0.877613 0.007478
H -1.264128 1.390590 1.214831
H -0.810797 2.963165 -0.744986
H -1.053799 1.586308 -1.850762
H -4.999345 1.135649 0.777100
H -3.692222 0.569675 1.866229
H -4.500374 -0.572780 -0.885819
H -4.623958 -1.396011 0.690412
H -2.674408 3.689148 -0.140421
H -2.947932 3.176568 1.561052
H -4.318828 3.274064 0.396928
H -3.268754 -3.284875 -0.363563
H 0.987772 -2.623493 -0.818235
H 1.581318 3.419826 -0.896944
H -0.960072 -4.172998 -0.798864
H 3.940375 2.666603 -0.375004
H 1.735172 -2.015273 0.964572
H 4.785168 -1.763383 0.401840
H 6.342588 -0.837267 0.381630
H 5.310484 -0.902298 -1.099952


