%chk=000052837.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052837

0 1
 O   -3.233500      0.3766000     -0.2680000    
 N    3.094700     -0.7053000     -0.1046000    
 N    2.861500       1.599500      0.5097000    
 C   0.8701000      0.4311000      4.8099998E-02
 C    2.354400      0.4515000      0.1628000    
 C   0.2947000      0.7357000      -1.166200    
 C   0.1238000      0.1085000       1.160700    
 C   -1.876700      0.3937000     -0.1636000    
 C   -1.095800      0.7169000      -1.273300    
 C   -1.266800      8.9599997E-02   1.053500    
 C    2.488000      -1.973300     -0.5018000    
 C    4.543300     -0.7403000      7.6600000E-02
 C   -3.938600     -0.5313000      0.5774000    
 C   -5.219100     -0.9530000     -0.1112000    
 H   0.8981000      0.9873000      -2.033200    
 H   0.5943000     -0.1238000       2.111400    
 H   -1.565300      0.9546000      -2.224000    
 H   -1.838100     -0.1399000       1.948100    
 H    3.228700      -2.699500     -0.8528000    
 H    1.781600      -1.827300      -1.325000    
 H    1.957800      -2.418100      0.3463000    
 H    4.969000      -1.733000     -0.1033000    
 H    4.804200     -0.4585000       1.102200    
 H    5.026800     -4.4300001E-02 -0.6167000    
 H   -3.356900      -1.440400      0.7752000    
 H   -4.173700     -3.2699998E-02   1.524200    
 H   -5.791700      -1.643000      0.5150000    
 H   -5.841800     -8.0499999E-02 -0.3351000    
 H   -5.000600      -1.441200      -1.066800    
 H    3.881500       1.540700      0.5616000    


%chk=000052837-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052837

0 1
O -3.309108 0.119235 -0.447812
N 3.164359 -0.692561 0.245864
N 2.917688 1.603964 -0.537011
C 0.926526 0.273231 -0.255472
C 2.417133 0.421896 -0.216575
C 0.183430 0.992403 -1.230433
C 0.218894 -0.503386 0.694700
C -1.912686 0.125933 -0.320262
C -1.217648 0.918924 -1.270152
C -1.190939 -0.583249 0.673482
C 2.838517 -2.073711 -0.163550
C 4.575523 -0.482060 0.598047
C -4.089219 -0.673586 0.522769
C -5.559451 -0.506493 0.147997
H 0.733470 1.622082 -1.936222
H 0.774637 -1.025424 1.481819
H -1.797614 1.466667 -2.019174
H -1.706706 -1.179764 1.431508
H 3.502304 -2.411158 -0.989127
H 1.799934 -2.131604 -0.518760
H 2.960569 -2.774696 0.684295
H 4.923618 -1.337211 1.203343
H 4.684062 0.435036 1.203255
H 5.242081 -0.399447 -0.290245
H -3.777712 -1.737268 0.466612
H -3.890163 -0.300554 1.548717
H -6.197067 -1.081313 0.844165
H -5.855021 0.555283 0.197355
H -5.743003 -0.870118 -0.877363
H 3.957496 1.629250 -0.544573


