%chk=000053394.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053394

0 1
 O   -5.926100       1.613500      1.3200000E-02
 N   -4.799700     -0.1510000     -0.2449000    
 N   -4.911700       1.008000      0.3790000    
 C    1.537400     -0.6038000      0.1448000    
 C   0.2291000      0.1120000     -0.1999000    
 C    2.781100      0.2608000     -8.8399999E-02
 C   -1.012800     -0.7585000      2.2000000E-02
 C    4.124700     -0.4084000      0.2177000    
 C   -2.326700     -1.6400000E-02 -0.2466000    
 C    5.331800      0.4810000     -8.6300001E-02
 C   -3.563900     -0.8723000      3.4600001E-02
 C    6.644200     -0.2672000      0.1519000    
 C    7.848500      0.6213000     -0.1173000    
 C   -5.956000      -1.019100      2.0300001E-02
 H    1.513100     -0.9191000       1.195000    
 H    1.618600      -1.516400     -0.4583000    
 H   0.1476000       1.019300      0.4113000    
 H   0.2570000      0.4368000      -1.247200    
 H    2.784900      0.5883000      -1.136000    
 H    2.696500       1.171000      0.5190000    
 H   -1.013200      -1.122200       1.057000    
 H  -0.9557000      -1.642100     -0.6252000    
 H    4.198800      -1.331500     -0.3704000    
 H    4.145500     -0.7041000       1.273800    
 H   -2.331500      0.8862000      0.3771000    
 H   -2.338700      0.3174000      -1.292300    
 H    5.293100       1.376700      0.5450000    
 H    5.287200      0.8179000      -1.129100    
 H   -3.510200      -1.768300     -0.5972000    
 H   -3.535100      -1.213400       1.079000    
 H    6.694200      -1.148600     -0.4979000    
 H    6.686500     -0.6243000       1.187500    
 H    7.845900       1.495800      0.5411000    
 H    8.775600      6.6600002E-02  5.8300000E-02
 H    7.853300      0.9716000      -1.154400    
 H   -6.060100      -1.258600       1.086300    
 H   -5.856400      -1.963900     -0.5280000    
 H   -6.897400     -0.5762000     -0.3284000    


%chk=000053394-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053394

0 1
O -6.066148 1.568341 -0.533892
N -4.870893 -0.292756 -0.086426
N -4.892198 1.065323 -0.365981
C 1.554560 -0.556601 0.188237
C 0.217438 0.180942 -0.047161
C 2.795660 0.326406 -0.071590
C -1.018886 -0.720161 0.170495
C 4.131527 -0.413457 0.165904
C -2.351206 0.028689 -0.059183
C 5.375670 0.456784 -0.121324
C -3.549570 -0.922313 0.121893
C 6.710051 -0.286956 0.115546
C 7.948996 0.584573 -0.183236
C -6.092490 -1.107855 0.016365
H 1.586124 -0.936066 1.231242
H 1.599760 -1.450813 -0.468712
H 0.156964 1.058648 0.629203
H 0.197887 0.583840 -1.081102
H 2.765629 0.700902 -1.116323
H 2.752276 1.223779 0.580595
H -0.992647 -1.131293 1.201724
H -0.955456 -1.591624 -0.515131
H 4.165200 -1.320780 -0.473514
H 4.169937 -0.772745 1.215844
H -2.436219 0.878854 0.641652
H -2.371861 0.464638 -1.074999
H 5.345651 1.365187 0.516462
H 5.339027 0.814581 -1.171790
H -3.460275 -1.771820 -0.587513
H -3.531368 -1.356426 1.144145
H 6.735675 -1.197478 -0.517760
H 6.748598 -0.639241 1.166747
H 7.964575 1.485430 0.459166
H 8.888577 0.028724 -0.007913
H 7.949183 0.925115 -1.236077
H -6.167501 -1.568590 1.018437
H -6.090769 -1.907587 -0.747011
H -6.952078 -0.437394 -0.150916


