%chk=000063804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063804

0 1
 O    1.708400       2.666600     -0.7542000    
 N    1.384300      0.3772000     -0.3908000    
 N   -3.076700     -0.2440000      0.5154000    
 N    3.244500      -1.000600      0.1843000    
 N   -2.955000       1.947600      0.1653000    
 C  -5.4800000E-02  0.4922000     -0.6381000    
 C  -0.8173000      0.7620000      0.6615000    
 C   -2.297700      0.8608000      0.4386000    
 C    1.986000     -0.8553000     -9.4800003E-02
 C    2.142000       1.557000     -0.4561000    
 C    3.577000       1.405200     -0.1351000    
 C    4.065100      0.1344000      0.1784000    
 C   -4.363900      0.1593000      0.2686000    
 C    1.150800      -2.070800     -9.9100001E-02
 C   -4.261500       1.530800      5.3199999E-02
 C    4.427000       2.517100     -0.1403000    
 C    5.422300     -1.0900000E-02  0.4887000    
 C   -5.572300     -0.5367000      0.2168000    
 C   -5.423400       2.267900     -0.2319000    
 C   0.5185000      -2.478200       1.070800    
 C    1.001300      -2.799000      -1.274600    
 C    5.776600       2.357000      0.1707000    
 C    6.274100       1.094600      0.4853000    
 C   -6.718400      0.2125000     -6.8300001E-02
 C   -6.647600       1.590000     -0.2889000    
 C  -0.2726000      -3.627000       1.065100    
 C   0.2102000      -3.947800      -1.280100    
 C  -0.4268000      -4.361900     -0.1103000    
 H  -0.2335000       1.314900      -1.341900    
 H  -0.4377000     -0.4080000      -1.127500    
 H  -0.4699000       1.707700       1.097500    
 H  -0.6101000     -2.3000001E-03   1.415700    
 H   -2.775000      -1.189300      0.7138000    
 H    4.058200       3.510100     -0.3812000    
 H    5.825500     -0.9905000      0.7344000    
 H   -5.624600      -1.605900      0.3884000    
 H   -5.378900       3.338400     -0.4049000    
 H   0.6421000      -1.921400       1.995500    
 H    1.492800      -2.483700      -2.191000    
 H    6.440000       3.217000      0.1683000    
 H    7.325500      0.9699000      0.7275000    
 H   -7.682500     -0.2876000     -0.1189000    
 H   -7.555900       2.145400     -0.5084000    
 H  -0.7666000      -3.950500       1.976600    
 H   8.9900002E-02  -4.519800      -2.195500    
 H   -1.042500      -5.256500     -0.1147000    


%chk=000063804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063804

0 1
O 2.029180 2.830011 -1.036064
N 1.484481 0.602664 -0.499958
N -2.811163 -0.317428 0.106602
N 3.133184 -0.936671 0.369063
N -3.125520 1.925055 0.409590
C 0.050384 0.932095 -0.737255
C -0.743419 1.073655 0.597838
C -2.221504 0.930958 0.383492
C 1.898790 -0.666853 -0.037766
C 2.415978 1.697230 -0.622617
C 3.793901 1.381172 -0.210391
C 4.100583 0.080086 0.299818
C -4.188854 -0.109674 -0.054912
C 0.906601 -1.790041 0.022317
C -4.369221 1.304408 0.139534
C 4.803508 2.375610 -0.286089
C 5.425456 -0.203706 0.733497
C -5.264472 -0.976649 -0.336709
C -5.660953 1.870060 0.048000
C 0.734546 -2.475089 1.252771
C 0.185563 -2.227922 -1.119536
C 6.108379 2.081408 0.142256
C 6.416335 0.788417 0.654806
C -6.546266 -0.390751 -0.423573
C -6.741776 1.009273 -0.234856
C -0.175467 -3.550054 1.352905
C -0.717421 -3.310850 -1.021559
C -0.911857 -3.966075 0.218335
H 0.039447 1.890471 -1.279708
H -0.405202 0.165037 -1.378398
H -0.550638 2.063498 1.041185
H -0.398061 0.305513 1.315264
H -2.317115 -1.208810 0.039840
H 4.532230 3.361434 -0.677259
H 5.639034 -1.205949 1.116669
H -5.124851 -2.053146 -0.482104
H -5.803508 2.945028 0.193912
H 1.327031 -2.163021 2.118786
H 0.358747 -1.755434 -2.093034
H 6.890742 2.845328 0.084399
H 7.436047 0.566289 0.987947
H -7.411968 -1.026265 -0.641153
H -7.754159 1.420414 -0.312181
H -0.305028 -4.065614 2.310399
H -1.252251 -3.652565 -1.914269
H -1.612573 -4.804646 0.293967


