%chk=000052353.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052353

0 1
 O    2.374800       2.547300     -0.4886000    
 O    4.236900      -1.756100     -0.3310000    
 N  -0.1571000       1.247600      0.4341000    
 N  -0.3259000     -0.9400000      0.8299000    
 N    2.000800      -1.506200      0.2621000    
 N    3.329300      0.4017000     -0.4170000    
 C   -3.322900      0.2857000      1.0700000E-02
 C   -4.791800      0.4458000      0.3893000    
 C   -3.300200      -1.100700     -0.6253000    
 C   -5.544100     -0.1516000     -0.7953000    
 C   -4.588200      -1.155900      -1.441300    
 C   -2.381500      0.4165000       1.195100    
 C  -0.9649000      0.2118000      0.8270000    
 C    1.072800      0.7158000      0.1717000    
 C   0.9418000     -0.6230000      0.4215000    
 C  -0.5430000       2.635100      0.3211000    
 C    2.276400       1.343100     -0.2688000    
 C    3.258800      -1.017200     -0.1709000    
 C    1.811900      -2.924500      0.5403000    
 C    4.616000      0.9246000     -0.8648000    
 H   -3.069500       1.030400     -0.7564000    
 H   -5.066000       1.490800      0.5642000    
 H   -5.025900     -0.1204000       1.299300    
 H   -3.317300      -1.885900      0.1408000    
 H   -2.420800      -1.264600      -1.256100    
 H   -5.801300      0.6320000      -1.517500    
 H   -6.478900     -0.6242000     -0.4773000    
 H   -5.007500      -2.167000      -1.453700    
 H   -4.395000     -0.8680000      -2.481100    
 H   -2.643900     -0.3340000       1.953500    
 H   -2.529800       1.380900       1.694700    
 H   -1.624100       2.734000      0.2184000    
 H  -0.1970000       3.157700       1.216100    
 H  -8.3499998E-02   3.061200     -0.5738000    
 H    2.729500      -3.492900      0.3693000    
 H    1.027700      -3.314200     -0.1161000    
 H    1.511700      -3.044800       1.585700    
 H    4.601100       2.004100      -1.030900    
 H    4.892700      0.4198000      -1.795900    
 H    5.371800      0.6860000     -0.1097000    


%chk=000052353-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052353

0 1
O 2.479871 2.575518 -0.611860
O 4.340401 -1.747706 -0.296056
N -0.166449 1.254851 0.421859
N -0.261287 -0.978850 0.896132
N 2.086245 -1.503667 0.312142
N 3.385092 0.388911 -0.440857
C -3.375274 0.255359 0.019543
C -4.860034 0.469577 0.421686
C -3.408481 -1.121167 -0.692322
C -5.695368 -0.149722 -0.743104
C -4.703489 -1.062333 -1.546043
C -2.405083 0.338648 1.231942
C -0.958290 0.198149 0.865220
C 1.108763 0.725505 0.154259
C 1.008328 -0.642165 0.455550
C -0.551115 2.671430 0.284311
C 2.316259 1.346511 -0.319870
C 3.327584 -1.005276 -0.148023
C 1.947253 -2.935764 0.637665
C 4.697885 0.879128 -0.920207
H -3.092990 1.028687 -0.727000
H -5.101979 1.533417 0.600341
H -5.057481 -0.073488 1.367414
H -3.478580 -1.920847 0.071688
H -2.503355 -1.322864 -1.291005
H -6.114241 0.638766 -1.394152
H -6.550710 -0.727775 -0.350085
H -5.119718 -2.067155 -1.737728
H -4.484110 -0.610778 -2.531845
H -2.650043 -0.475974 1.936906
H -2.568202 1.297273 1.763145
H -1.396216 2.777428 -0.416741
H -0.838358 3.091874 1.264071
H 0.319047 3.222512 -0.105044
H 2.916239 -3.416980 0.441205
H 1.160282 -3.390516 0.012986
H 1.668188 -3.057654 1.697717
H 4.592544 1.955848 -1.117532
H 4.989398 0.342185 -1.837472
H 5.471374 0.699802 -0.155539


