%chk=000082351.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082351

0 1
 O   0.6085000      -3.533500      5.0600000E-02
 O  -0.6054000       3.536000     -5.6800000E-02
 O   -1.537700      -3.311800     -0.6643000    
 O    1.539600       3.313100      0.6614000    
 N   -2.607900     -0.9679000      0.3778000    
 N    2.608100      0.9687000     -0.3763000    
 C   -1.292500     -0.4903000      0.1854000    
 C    1.292300      0.4920000     -0.1850000    
 C  -0.2532000      -1.364300     -0.1335000    
 C   0.2531000       1.366100      0.1339000    
 C   -1.039200      0.8750000      0.3193000    
 C    1.039100     -0.8732000     -0.3186000    
 C   -3.871700     -0.3859000      0.1693000    
 C    3.871400      0.3855000     -0.1677000    
 C  -0.4845000      -2.795600     -0.2821000    
 C   0.4859000       2.797500      0.2800000    
 C   -4.956200     -0.7609000      0.9656000    
 C   -4.047000      0.5687000     -0.8351000    
 C    4.956000      0.7590000     -0.9644000    
 C    4.045700     -0.5694000      0.8367000    
 C   -6.209300     -0.1841000      0.7587000    
 C   -5.300000       1.145600      -1.041900    
 C    6.208400      0.1806000     -0.7578000    
 C    5.298100      -1.147500       1.043400    
 C   -6.381200      0.7693000     -0.2449000    
 C    6.379500     -0.7726000      0.2462000    
 H   -1.841900       1.548900      0.6080000    
 H    1.841900      -1.546700     -0.6076000    
 H   -2.651100      -1.901000      0.7771000    
 H    2.652400       1.902000     -0.7753000    
 H   -4.835500      -1.502000       1.751700    
 H   -3.229300      0.8648000      -1.486600    
 H    4.836000       1.500000      -1.750700    
 H    3.227600     -0.8645000       1.488200    
 H   -7.051200     -0.4772000       1.379000    
 H   -5.435400       1.883900      -1.826800    
 H    7.050500      0.4725000      -1.378400    
 H    5.432800      -1.885900       1.828500    
 H   -7.357200       1.217400     -0.4068000    
 H    7.355100      -1.221900      0.4080000    
 H   0.4453000      -4.495300     -5.2900001E-02
 H  -0.4408000       4.497800      4.3800000E-02


%chk=000082351-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082351

0 1
O 0.711854 -3.603952 -0.096902
O -0.712094 3.604872 0.094701
O -1.560647 -3.436643 0.287360
O 1.560235 3.438050 -0.290585
N -2.666463 -0.992415 0.238883
N 2.667206 0.993195 -0.237766
C -1.371250 -0.487820 0.108626
C 1.371820 0.488945 -0.108121
C -0.240528 -1.392837 0.032853
C 0.241098 1.394003 -0.032345
C -1.078551 0.898058 0.079664
C 1.079116 -0.896921 -0.079211
C -3.911640 -0.327633 0.102593
C 3.911901 0.327448 -0.102009
C -0.450812 -2.850631 0.087852
C 0.451157 2.851832 -0.087500
C -5.022006 -0.867740 0.812248
C -4.123770 0.787699 -0.755300
C 5.023092 0.868102 -0.809949
C 4.122606 -0.789743 0.753789
C -6.304289 -0.299482 0.678619
C -5.410090 1.356286 -0.871243
C 6.304879 0.298670 -0.676540
C 5.408427 -1.359504 0.869473
C -6.507874 0.824827 -0.156264
C 6.507084 -0.827406 0.156303
H -1.881312 1.628422 0.181691
H 1.881945 -1.627270 -0.180971
H -2.697619 -2.010591 0.415485
H 2.698935 2.011669 -0.412540
H -4.866518 -1.729011 1.472762
H -3.305825 1.182350 -1.364142
H 4.868655 1.730753 -1.468908
H 3.303856 -1.185094 1.361118
H -7.144590 -0.730571 1.234304
H -5.555522 2.212096 -1.540237
H 7.145868 0.730221 -1.230824
H 5.552773 -2.216779 1.536825
H -7.502851 1.271462 -0.253420
H 7.501670 -1.274956 0.253248
H 0.475558 -4.568535 -0.044170
H -0.476387 4.569471 0.039650


