%chk=000083245.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083245

1 1
 O    1.190500     -0.7479000      0.2703000    
 O    1.738700       1.478200      0.4777000    
 N   -2.368800      0.1976000     -0.3331000    
 C  -0.9299000     -0.1522000     -0.6842000    
 C   -3.025900     -0.9896000      0.3561000    
 C   -2.385400       1.399200      0.6008000    
 C   -3.134000      0.5330000      -1.605100    
 C  -0.1638000     -0.4554000      0.5883000    
 C   -4.455800     -0.6358000      0.7024000    
 C    2.045200      0.3166000      0.2487000    
 C    3.419100     -0.1419000     -9.8499998E-02
 C    3.688700      -1.591900     -0.3612000    
 C    4.381300      0.7902000     -0.1622000    
 H  -0.9399000      -1.014500      -1.361900    
 H  -0.4923000      0.6950000      -1.225600    
 H   -2.974100      -1.852200     -0.3170000    
 H   -2.500300      -1.214300       1.286800    
 H   -1.646800       2.125500      0.2464000    
 H   -3.372700       1.870200      0.5695000    
 H   -2.163500       1.084800       1.624300    
 H   -3.239900     -0.3784000      -2.201000    
 H   -4.108600      0.9622000      -1.361200    
 H   -2.554100       1.276900      -2.161200    
 H  -0.2004000      0.3368000       1.341100    
 H  -0.5255000      -1.366300       1.070600    
 H   -4.900400      -1.481700       1.241000    
 H   -4.550100      0.2251000       1.368800    
 H   -5.088000     -0.4828000     -0.1759000    
 H    3.444600      -2.194100      0.5200000    
 H    3.090100      -1.947000      -1.206500    
 H    4.741200      -1.775000     -0.6035000    
 H    5.402800      0.5191000     -0.4104000    
 H    4.191800       1.841600      2.7000001E-02


%chk=000083245-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083245

1 1
O 1.242614 -1.128876 0.191965
O 1.216660 1.194595 0.351537
N -2.322279 0.122474 -0.323765
C -1.010691 -0.623219 -0.668510
C -3.276802 -0.853352 0.418751
C -2.026794 1.365026 0.529510
C -2.942233 0.571984 -1.646879
C -0.186588 -1.083991 0.558886
C -4.624349 -0.252507 0.830871
C 1.883265 0.143436 0.158026
C 3.338405 0.015738 -0.120761
C 3.938002 -1.362314 -0.305882
C 4.052652 1.177516 -0.180100
H -1.292145 -1.479003 -1.305073
H -0.410055 0.081784 -1.263829
H -3.416455 -1.713270 -0.260359
H -2.721235 -1.198540 1.307184
H -1.081035 1.812060 0.187848
H -2.860236 2.073922 0.425951
H -1.923384 1.075083 1.584960
H -3.107565 -0.307530 -2.288321
H -3.897127 1.078558 -1.450992
H -2.250238 1.271491 -2.140329
H -0.311684 -0.398896 1.415531
H -0.419504 -2.115747 0.859663
H -5.178082 -1.024842 1.393117
H -4.516927 0.616149 1.501432
H -5.255484 0.029098 -0.027912
H 3.786812 -1.987409 0.591944
H 3.467501 -1.898161 -1.149334
H 5.019986 -1.288564 -0.500602
H 5.130195 1.169457 -0.373098
H 3.568601 2.148853 -0.030129


