%chk=000128535.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128535

0 1
 O   0.4176000      -1.197300      -1.243700    
 O    4.021900      -2.634000       1.449300    
 O  -0.7849000       3.163500      1.5000000E-03
 O   -6.621700     -0.7043000     -0.8080000    
 N  -0.2085000      0.9821000     -0.6274000    
 N    3.163200     -0.4745000     -0.3011000    
 N    1.423200       2.501700      0.3183000    
 N    3.673100       1.528200      0.5352000    
 C    2.010200      0.2563000     -0.3295000    
 C   -1.582700      0.7429000      -1.056300    
 C   -2.454200      0.1892000      6.6900000E-02
 C    2.350000       1.476800      0.1871000    
 C   0.7031000     -9.6100003E-02 -0.7811000    
 C    3.350900      -1.837300     -0.7377000    
 C   8.3300002E-02   2.288300     -9.1499999E-02
 C   -3.891700     -8.9800000E-02 -0.3891000    
 C    3.105400      -2.855300      0.3798000    
 C    4.136000      0.3341000      0.2278000    
 C   -4.763800     -0.6365000      0.7407000    
 C    1.825100       3.788300      0.8734000    
 C    3.326900      -4.275400     -0.1221000    
 C   -6.197800     -0.9213000      0.3260000    
 C   -7.084600      -1.529500       1.381500    
 H   -2.015400       1.677400      -1.432000    
 H   -1.579700      3.9299998E-02  -1.897200    
 H   -2.010800     -0.7368000      0.4537000    
 H   -2.468600      0.8984000      0.9038000    
 H    4.388600      -1.908400      -1.088800    
 H    2.709000      -2.022000      -1.604000    
 H   -3.879400     -0.8058000      -1.220300    
 H   -4.336500      0.8342000     -0.7790000    
 H    2.090000      -2.748000      0.7777000    
 H    5.156300      1.9000000E-03  0.3643000    
 H   -4.793800      8.3800003E-02   1.566000    
 H   -4.333000      -1.572200       1.114700    
 H   0.9882000       4.490000      0.9130000    
 H    2.613900       4.214700      0.2460000    
 H    2.204600       3.634000       1.888200    
 H    3.157600      -4.998600      0.6830000    
 H    2.650600      -4.513600     -0.9488000    
 H    4.359400      -4.417300     -0.4600000    
 H    3.815600      -3.274800       2.151100    
 H   -6.697600      -2.511800       1.663400    
 H   -7.119000     -0.8725000       2.254100    
 H   -8.098800      -1.645600      0.9895000    


%chk=000128535-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128535

0 1
O 0.302498 -1.288848 -1.265846
O 4.946978 -2.543012 0.971774
O -0.887448 3.087439 0.040769
O -6.819014 -0.368748 -0.878435
N -0.258438 0.921711 -0.624250
N 3.178020 -0.551724 -0.260501
N 1.342471 2.438193 0.365642
N 3.627553 1.512923 0.619240
C 1.977069 0.179475 -0.300921
C -1.658597 0.690627 -1.076136
C -2.575422 0.210737 0.069323
C 2.292948 1.435284 0.243004
C 0.662991 -0.170315 -0.771280
C 3.360521 -1.944622 -0.718499
C 0.014475 2.206451 -0.062586
C -4.015862 -0.026978 -0.432508
C 3.617446 -2.920950 0.439912
C 4.128012 0.287674 0.298407
C -4.950867 -0.500412 0.694866
C 1.708650 3.744920 0.946352
C 3.598976 -4.380650 -0.041749
C -6.404966 -0.708904 0.261578
C -7.330781 -1.366868 1.281894
H -2.035438 1.641491 -1.487917
H -1.613140 -0.071770 -1.871692
H -2.162959 -0.725251 0.494634
H -2.577430 0.974424 0.870910
H 4.219787 -1.988455 -1.411765
H 2.440287 -2.230044 -1.254489
H -4.016725 -0.778271 -1.245966
H -4.424839 0.901477 -0.873811
H 2.842271 -2.767828 1.220753
H 5.149788 -0.036074 0.470114
H -4.955157 0.238045 1.526046
H -4.582346 -1.444012 1.149822
H 0.801490 4.365724 0.968520
H 2.486329 4.226938 0.330633
H 2.104699 3.606068 1.966047
H 3.817523 -5.072587 0.792623
H 2.607172 -4.649004 -0.448705
H 4.359352 -4.540885 -0.826900
H 5.153801 -3.094241 1.767414
H -7.163600 -2.462163 1.272768
H -7.123102 -1.014065 2.308133
H -8.383778 -1.176517 1.021180


