%chk=000050449.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050449

0 1
 O   0.1389000      -1.643900     -0.3208000    
 O    1.845200      -2.747700      0.7653000    
 N    3.730300      -1.150000     -0.3490000    
 C   -2.550200     -0.7083000      0.1687000    
 C   -3.956800     -0.2852000     -0.2642000    
 C   -2.201400      -2.144300     -0.2192000    
 C   -4.296700       1.160100      0.1023000    
 C  -0.8081000      -2.529800      0.2601000    
 C    2.335300     -0.8277000     -0.6612000    
 C   -5.726600       1.507800     -0.2831000    
 C    1.988300      0.5862000     -0.2465000    
 C    1.451500      -1.862300      1.6500000E-02
 C    2.196200       1.622400      -1.140000    
 C    1.471100      0.8116000       1.017200    
 C    1.876900       2.925300     -0.7577000    
 C    1.151600       2.114500       1.399500    
 C    1.354600       3.171300      0.5120000    
 H   -2.463400     -0.5956000       1.256600    
 H   -1.826400     -1.5900001E-02 -0.2785000    
 H   -4.688000     -0.9586000      0.2003000    
 H   -4.053600     -0.4139000      -1.349400    
 H   -2.247800      -2.234800      -1.311200    
 H   -2.937400      -2.837300      0.2037000    
 H   -4.169000       1.309200       1.180700    
 H   -3.605900       1.843600     -0.4045000    
 H  -0.5875000      -3.557800     -4.9300000E-02
 H  -0.7535000      -2.465300       1.353200    
 H    2.190500     -0.9490000      -1.742100    
 H   -5.949200       2.545400     -1.5200000E-02
 H   -5.880800       1.394500      -1.360900    
 H   -6.441600      0.8621000      0.2366000    
 H    2.603600       1.440400      -2.130200    
 H    1.320000      1.4300000E-02   1.738200    
 H    3.872300      -1.143800      0.6606000    
 H    3.943000      -2.096400     -0.6625000    
 H    2.035300       3.748300      -1.448400    
 H   0.7488000       2.306900       2.389600    
 H    1.106800       4.185900      0.8101000    


%chk=000050449-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050449

0 1
O 0.090485 -1.858112 -0.411868
O 1.678003 -2.387960 1.215660
N 3.692988 -1.173541 -0.553354
C -2.682047 -0.796404 0.165921
C -4.063817 -0.364870 -0.373646
C -2.309926 -2.244054 -0.224160
C -4.447070 1.077629 0.028733
C -0.940849 -2.682513 0.297288
C 2.267275 -0.822833 -0.638873
C -5.824667 1.509515 -0.518677
C 2.048403 0.621122 -0.169040
C 1.349427 -1.773867 0.172668
C 1.876546 1.660236 -1.114576
C 2.062061 0.939939 1.213185
C 1.722074 2.998718 -0.690242
C 1.913126 2.279080 1.638603
C 1.741902 3.312334 0.688718
H -2.674108 -0.702193 1.272212
H -1.903350 -0.106975 -0.214263
H -4.842587 -1.066046 -0.005316
H -4.068975 -0.448134 -1.480813
H -2.331531 -2.355772 -1.325954
H -3.065919 -2.947532 0.182232
H -4.444551 1.159309 1.134916
H -3.665906 1.775577 -0.335146
H -0.726705 -3.744321 0.075949
H -0.829362 -2.519594 1.384952
H 1.948275 -0.896871 -1.693494
H -6.075730 2.542738 -0.215823
H -5.842685 1.467650 -1.624254
H -6.625945 0.843719 -0.145605
H 1.873119 1.420360 -2.184318
H 2.180945 0.141187 1.955869
H 4.087265 -1.023761 0.381723
H 3.910165 -2.111872 -0.907515
H 1.589948 3.794417 -1.432023
H 1.926425 2.515411 2.708644
H 1.623595 4.350485 1.018986


