%chk=000095551.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095551

0 1
 O    1.500900      -1.327100     -6.0800001E-02
 O    4.328100     -0.9144000      0.4712000    
 O    4.347700      0.7106000      -1.016600    
 N    3.869100      0.1231000     -3.3100002E-02
 C   -1.108700     -0.1100000     -0.2190000    
 C   0.1043000      0.5522000      0.4364000    
 C   -2.415900      0.4041000      0.3888000    
 C    1.445200      9.9900000E-02 -0.1569000    
 C   -3.631700     -0.2337000     -0.2857000    
 C   -4.937500      0.3044000      0.2989000    
 C    2.646600      0.6928000      0.5689000    
 C   -6.148300     -0.3020000     -0.3920000    
 H   -1.058400      -1.198200     -9.6400000E-02
 H   -1.097500      9.5700003E-02  -1.296200    
 H   8.7700002E-02  0.3103000       1.507200    
 H   2.3900000E-02   1.642700      0.3509000    
 H   -2.434100      0.1854000       1.463300    
 H   -2.466600       1.494300      0.2794000    
 H    1.470100      0.3581000      -1.223100    
 H   -3.593100      -1.322700     -0.1615000    
 H   -3.601600     -3.0200001E-02  -1.363100    
 H   -4.984700      8.2099997E-02   1.371300    
 H   -4.972800       1.394800      0.1916000    
 H    2.661100      0.4198000       1.629600    
 H    2.694400       1.781900      0.4746000    
 H   -6.160600      -1.390600     -0.2780000    
 H   -6.148100     -6.8099998E-02  -1.461400    
 H   -7.071000      9.5399998E-02  4.2300001E-02
 H    2.192200      -1.641800     -0.6674000    


%chk=000095551-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095551

0 1
O 1.466378 -1.479845 0.216139
O 4.128287 -0.909765 -0.578772
O 4.867474 1.224441 -0.290127
N 3.981079 0.308471 -0.164508
C -1.102346 -0.107726 -0.228507
C 0.139361 0.527358 0.434803
C -2.428273 0.423969 0.358902
C 1.455071 -0.053812 -0.113060
C -3.675836 -0.201850 -0.304479
C -5.007165 0.323336 0.279631
C 2.664091 0.671006 0.521254
C -6.247948 -0.308052 -0.388151
H -1.045197 -1.204946 -0.105659
H -1.078925 0.092801 -1.320350
H 0.104851 0.350533 1.528456
H 0.129044 1.624669 0.274373
H -2.454319 0.220079 1.449910
H -2.470340 1.528339 0.246936
H 1.493152 0.091359 -1.216494
H -3.636721 -1.305252 -0.190928
H -3.652034 -0.001197 -1.396208
H -5.030187 0.122621 1.370317
H -5.045165 1.426204 0.165777
H 2.774939 0.357525 1.575606
H 2.592825 1.768113 0.460241
H -6.250010 -1.407116 -0.260474
H -6.263286 -0.097747 -1.474387
H -7.186338 0.084178 0.045339
H 2.318240 -1.858895 -0.132378