%chk=000048550.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048550

0 1
 O   0.9617000       1.794900      -1.629000    
 O  -0.6135000     -0.7501000       1.989300    
 O    3.415800      -1.715600      1.7100001E-02
 N    2.139700     -2.0500001E-02 -0.8682000    
 N    1.352600      -1.292300      0.9389000    
 C  -0.2053000      0.2294000     -0.1911000    
 C  -0.9748000     -0.6798000      -1.165900    
 C   -1.108800       1.395400      0.2357000    
 C    1.004000      0.7717000     -0.9464000    
 C   0.1441000     -0.6177000       1.028400    
 C   -2.233700      -1.233300     -0.5567000    
 C  -0.3499000       2.377200       1.065000    
 C    2.368400      -1.066400      1.7899999E-02
 C   -3.496600     -0.4447000     -0.7524000    
 C   -2.235200      -2.404900      9.7999997E-02
 C  -0.1684000       3.656700      0.7194000    
 H  -0.3341000      -1.513200      -1.489200    
 H   -1.216400     -0.1418000      -2.092700    
 H   -1.928100       1.065200      0.8804000    
 H   -1.552200       1.889900     -0.6382000    
 H    2.917400      0.2403000      -1.468000    
 H    1.549900      -1.969200       1.670700    
 H   6.0699999E-02   2.040500       2.013400    
 H   -4.380600      -1.065000     -0.5623000    
 H   -3.576800      0.4210000     -9.6299998E-02
 H   -3.575900     -0.1021000      -1.789700    
 H   -1.330900      -2.993000      0.2147000    
 H   -3.146400      -2.809500      0.5258000    
 H   0.3843000       4.327300       1.368200    
 H  -0.5628000       4.057000     -0.2080000    


%chk=000048550-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048550

0 1
O 0.758733 1.645080 -1.909251
O -0.436142 -0.738335 2.104290
O 3.633313 -1.471856 -0.000579
N 2.149108 0.069461 -0.944724
N 1.510064 -1.198663 0.943588
C -0.227870 0.233094 -0.152017
C -1.045676 -0.759286 -1.113553
C -1.102020 1.435119 0.319621
C 0.916288 0.740417 -1.051235
C 0.249288 -0.571395 1.065337
C -2.370546 -1.293398 -0.579389
C -0.357034 2.391191 1.232610
C 2.508031 -0.914839 -0.005239
C -3.627039 -0.533516 -0.972001
C -2.423208 -2.440696 0.148281
C 0.032504 3.643092 0.885176
H -0.376269 -1.603342 -1.367602
H -1.220247 -0.183780 -2.042879
H -1.965308 1.012486 0.864264
H -1.463784 1.965217 -0.578287
H 2.885258 0.339894 -1.605361
H 1.788398 -1.831577 1.701017
H -0.144863 2.017487 2.245436
H -4.528147 -0.988849 -0.527297
H -3.586852 0.525725 -0.658649
H -3.752977 -0.532124 -2.072976
H -1.521491 -3.009067 0.404971
H -3.373114 -2.840572 0.520376
H 0.559541 4.294717 1.591602
H -0.159737 4.045715 -0.116731


