%chk=000050697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050697

0 1
 O   0.2688000      3.7799999E-02  0.2166000    
 O    1.039800       2.142600      0.7407000    
 N   -3.796000      0.7461000     -0.5913000    
 N    6.374100      -1.168800     -0.5318000    
 C   -3.460400     -0.3317000      0.3477000    
 C   -4.368600      -1.549000      0.1264000    
 C   -5.842400      -1.165100      0.2273000    
 C   -6.153400      1.1900000E-02 -0.6910000    
 C   -5.188900       1.170800     -0.4504000    
 C   -1.993900     -0.7169000      0.1623000    
 C   -1.072100      0.4602000      0.4224000    
 C    1.230600      0.9825000      0.4103000    
 C    2.581400      0.4177000      0.1635000    
 C    3.577000       1.250400     -0.3044000    
 C    2.798900     -0.9226000      0.4091000    
 C    4.845800      0.7197000     -0.5372000    
 C    4.067800      -1.453400      0.1765000    
 C    5.091300     -0.6322000     -0.2966000    
 H   -3.595900      3.4100000E-02   1.374300    
 H   -4.144600      -2.325100      0.8679000    
 H   -4.178000      -1.989000     -0.8614000    
 H   -6.079200     -0.8936000       1.263300    
 H   -6.472800      -2.022400     -3.3300001E-02
 H   -6.085500     -0.3132000      -1.737000    
 H   -7.183700      0.3468000     -0.5268000    
 H   -5.391000       1.970100      -1.171700    
 H   -5.348200       1.599800      0.5462000    
 H   -1.813300      -1.106600     -0.8486000    
 H   -1.730300      -1.536900      0.8430000    
 H   -3.642100      0.4202000      -1.546000    
 H   -1.283600       1.289300     -0.2618000    
 H   -1.188900      0.8097000       1.455100    
 H    3.397200       2.303600     -0.4987000    
 H    2.023000      -1.579800      0.7900000    
 H    5.634800       1.369700     -0.9068000    
 H    4.247500      -2.507900      0.3705000    
 H    6.552900      -2.148700     -0.3570000    
 H    7.116700     -0.5737000     -0.8742000    


%chk=000050697-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050697

0 1
O 0.275168 0.032245 0.202027
O 1.060275 2.217486 0.444693
N -3.895386 0.694357 -0.709790
N 6.547549 -1.173397 -0.463161
C -3.531133 -0.271407 0.366834
C -4.453394 -1.524387 0.382409
C -5.946338 -1.113668 0.438596
C -6.299031 -0.122346 -0.698388
C -5.327481 1.087782 -0.676803
C -2.042011 -0.658298 0.237888
C -1.112065 0.548319 0.377024
C 1.296862 0.994698 0.254480
C 2.638124 0.397034 0.064069
C 3.772158 1.254137 0.076259
C 2.837571 -0.997238 -0.128692
C 5.065613 0.742608 -0.098126
C 4.127708 -1.520758 -0.302724
C 5.266546 -0.658637 -0.290827
H -3.678037 0.266639 1.329260
H -4.200070 -2.168045 1.248623
H -4.261754 -2.121642 -0.534278
H -6.152838 -0.630460 1.416542
H -6.592608 -2.010638 0.384577
H -6.219405 -0.637021 -1.678423
H -7.345769 0.226627 -0.596248
H -5.523369 1.766323 -1.527521
H -5.493610 1.671454 0.251119
H -1.867647 -1.140615 -0.745827
H -1.790762 -1.408727 1.011248
H -3.640265 0.309062 -1.633727
H -1.318223 1.318539 -0.384621
H -1.191962 1.022896 1.373000
H 3.609367 2.326959 0.225362
H 1.967232 -1.659547 -0.138208
H 5.930197 1.417420 -0.087094
H 4.267631 -2.598898 -0.448854
H 6.696101 -2.169284 -0.598731
H 7.359855 -0.563177 -0.454866


