%chk=000047742.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047742

0 1
 O   0.1208000       1.376500     -0.6355000    
 O    3.704400     -0.4148000      0.2940000    
 N    1.397700     -0.5211000     -0.1166000    
 C   -2.361100      0.2761000     -5.4200001E-02
 C   -1.087400     -0.5603000      9.4800003E-02
 C   -3.622600     -0.5180000      0.2940000    
 C   0.1896000      0.2112000     -0.2396000    
 C   -4.873700      0.3326000      0.1396000    
 C    1.378400      -1.976100     -0.2897000    
 C    2.612700      0.1480000      0.1712000    
 C    2.541400       1.645800      0.3419000    
 H   -2.435400      0.6475000      -1.084000    
 H   -2.294200       1.159400      0.5932000    
 H   -1.166800      -1.425900     -0.5705000    
 H   -1.002600     -0.9242000       1.125300    
 H   -3.558700     -0.8826000       1.325700    
 H   -3.700400      -1.396100     -0.3574000    
 H   -5.763300     -0.2526000      0.3930000    
 H   -4.840100       1.203700      0.8016000    
 H   -4.982400      0.6872000     -0.8903000    
 H    2.392900      -2.376300     -0.3610000    
 H   0.8292000      -2.226800      -1.201700    
 H   0.8786000      -2.428700      0.5715000    
 H    3.500600       1.998800      0.7367000    
 H    1.776600       1.928800       1.069400    
 H    2.387200       2.134900     -0.6229000    


%chk=000047742-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047742

0 1
O 0.083147 1.541283 0.057515
O 3.698280 -0.569903 0.056831
N 1.368361 -0.439950 0.050578
C -2.420742 0.285361 0.070185
C -1.140340 -0.571191 0.047353
C -3.700779 -0.580490 0.063990
C 0.135709 0.280132 0.052525
C -4.988330 0.271493 0.084019
C 1.353323 -1.926578 0.052870
C 2.678694 0.173983 0.051181
C 2.804320 1.683654 0.043836
H -2.421448 0.967676 -0.800612
H -2.410281 0.937920 0.963647
H -1.139069 -1.226031 -0.848453
H -1.127992 -1.258875 0.917486
H -3.693567 -1.259387 0.941733
H -3.703105 -1.232260 -0.834165
H -5.893821 -0.362409 0.079985
H -5.025693 0.910454 0.986195
H -5.035996 0.936631 -0.798512
H 2.400902 -2.260532 0.031362
H 0.829604 -2.318933 -0.835102
H 0.869710 -2.317410 0.964440
H 3.879656 1.919322 0.035378
H 2.317961 2.133844 0.925006
H 2.302897 2.129197 -0.830769


