%chk=000100279.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100279

0 1
 O   -3.066900     -0.2499000      1.5400000E-02
 O    3.063300     -0.2487000      1.1700000E-02
 O   -2.990600       1.053800      -1.896100    
 O    2.995300       1.070300      -1.889500    
 N  -2.2000000E-03   2.706900      0.9978000    
 N   2.9000000E-03  -3.330900     -0.5929000    
 C   7.9999998E-04  0.4362000     -0.6936000    
 C   -1.279400       1.161100     -0.2597000    
 C    1.276900       1.164300     -0.2598000    
 C   -1.230900       2.233000      0.5641000    
 C    1.226600       2.228700      0.5723000    
 C   2.4999999E-03 -0.9659000     -0.1551000    
 C   -2.542000      0.6671000     -0.8327000    
 C    2.541800      0.6747000     -0.8315000    
 C   -2.422200       2.991600       1.083600    
 C    2.418200       2.980500       1.100500    
 C   3.1000001E-03  -1.193800       1.209000    
 C   2.4000001E-03  -2.045500      -1.011600    
 C   3.5999999E-03  -2.502800       1.678500    
 C   3.4000000E-03  -3.526500      0.7448000    
 C   -4.306500     -0.8277000     -0.4069000    
 C    4.305300     -0.8223000     -0.4093000    
 C   -4.765500      -1.825800      0.6346000    
 C    4.760000      -1.828400      0.6263000    
 H   5.0000002E-04  0.4202000      -1.793300    
 H  -2.9000000E-03   3.507100       1.620500    
 H   -2.372800       4.037800      0.7636000    
 H   -2.438500       2.965500       2.178500    
 H   -3.373900       2.583500      0.7316000    
 H    2.373500       4.028700      0.7861000    
 H    3.370300       2.571700      0.7507000    
 H    2.429600       2.948600       2.195300    
 H   2.9000000E-03 -0.3798000       1.927600    
 H   1.8000000E-03  -1.921900      -2.089700    
 H   4.0000002E-03  -2.714900       2.741500    
 H   3.8000001E-03  -4.565000       1.059400    
 H   -5.057800     -3.8100000E-02 -0.5199000    
 H   -4.163900      -1.334800      -1.367900    
 H    4.167800      -1.321600      -1.374900    
 H    5.056700     -3.1300001E-02 -0.5122000    
 H   -5.712100      -2.289000      0.3426000    
 H   -4.014500      -2.610900      0.7723000    
 H   -4.895300      -1.336800       1.605700    
 H    5.708300      -2.288600      0.3352000    
 H    4.884700      -1.347200       1.602000    
 H    4.009000      -2.615100      0.7540000    


%chk=000100279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100279

0 1
O -3.663160 0.578408 -0.294338
O 3.662126 0.580349 -0.289743
O -2.431920 -0.804819 -1.709566
O 2.433307 -0.802648 -1.707403
N -0.001967 1.576404 1.676050
N -0.013484 -4.275456 -0.165738
C -0.000063 -0.426470 -0.333762
C -1.271436 0.333603 0.073051
C 1.269875 0.335362 0.073555
C -1.246579 1.242055 1.115026
C 1.243258 1.244358 1.115012
C 0.000221 -1.851463 0.248643
C -2.459981 -0.023754 -0.718492
C 2.459639 -0.021603 -0.716329
C -2.417054 1.980938 1.730466
C 2.412608 1.985145 1.730316
C 0.011615 -2.090118 1.645492
C -0.012141 -2.982544 -0.607339
C 0.010338 -3.418606 2.124018
C -0.002297 -4.476069 1.185579
C -4.867261 0.206060 -1.095713
C 4.867630 0.208074 -1.089026
C -6.058849 0.919367 -0.463522
C 6.058032 0.921795 -0.455067
H 0.000117 -0.539158 -1.432054
H -0.002618 2.235524 2.455142
H -2.870477 2.676820 1.004524
H -2.097389 2.557490 2.618674
H -3.216087 1.283322 2.023994
H 2.872269 2.672793 1.000654
H 3.207975 1.287704 2.034539
H 2.090122 2.570550 2.611672
H 0.021647 -1.249607 2.349334
H -0.021760 -2.843687 -1.693529
H 0.019019 -3.635780 3.197485
H -0.003490 -5.522206 1.514351
H -4.697957 0.512882 -2.143760
H -4.973004 -0.893691 -1.077052
H 4.973580 -0.891652 -1.069797
H 4.700030 0.514459 -2.137472
H -6.979849 0.675188 -1.023885
H -6.198682 0.603350 0.584875
H -5.922331 2.014651 -0.484014
H 6.980058 0.677383 -1.013635
H 5.921501 2.017065 -0.476365
H 6.195966 0.606331 0.593747


