%chk=000096804.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096804

0 1
 O   -4.187100     -0.8149000      0.2310000    
 O   -3.381900       2.589600      0.6244000    
 O   -1.955800       1.350500       1.878800    
 O    1.395300      -3.254900      0.6515000    
 O  -0.7012000      -2.644800      0.4243000    
 O    4.503900       1.991200     -0.4485000    
 O    4.952000     -9.6699998E-02  6.0400002E-02
 N   -1.372700     -0.3191000     -0.1478000    
 N   0.5248000      -2.385100      0.4133000    
 N    4.133300      0.8209000     -0.1890000    
 C   -2.381900      0.6874000     -0.4253000    
 C   -3.691900     -3.0000000E-03 -0.8328000    
 C  -1.6400000E-02 -5.8100000E-02 -0.1531000    
 C   -3.550600     -0.8832000      -2.067100    
 C   0.9431000      -1.056900      0.1207000    
 C   -2.533000       1.547300      0.8168000    
 C   0.4518000       1.241600     -0.4389000    
 C    2.307800     -0.7679000      0.1090000    
 C    2.744300      0.5258000     -0.1768000    
 C    1.816100       1.530400     -0.4507000    
 H   -2.079000       1.325500      -1.263600    
 H   -4.457600      0.7550000      -1.036800    
 H   -1.700500      -1.207900      0.2067000    
 H   -3.159900     -0.3162000      -2.917300    
 H   -4.525400      -1.298400      -2.346900    
 H   -2.895300      -1.740900      -1.881400    
 H  -0.2169000       2.069200     -0.6542000    
 H    3.034900      -1.548000      0.3218000    
 H    2.120500       2.549500     -0.6759000    
 H   -4.392900     -0.2310000      0.9803000    
 H   -3.469400       3.143200       1.429400    


%chk=000096804-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096804

0 1
O -4.058177 -1.137136 0.165925
O -2.244070 2.812620 0.768798
O -3.643251 1.233467 1.738057
O 1.468905 -3.246383 0.773468
O -0.730159 -2.663819 0.710416
O 4.523684 2.019632 -0.683395
O 4.994736 -0.139014 -0.096795
N -1.424242 -0.241376 -0.030875
N 0.540717 -2.375792 0.578548
N 4.167032 0.820501 -0.348977
C -2.491637 0.694956 -0.397404
C -3.747990 -0.122830 -0.846236
C -0.077575 0.013198 -0.083031
C -3.524331 -0.864460 -2.165924
C 0.913265 -1.008572 0.196050
C -2.869572 1.571630 0.812380
C 0.426451 1.316548 -0.427794
C 2.295094 -0.742344 0.106569
C 2.724626 0.540032 -0.253929
C 1.791012 1.577788 -0.518153
H -2.167498 1.354886 -1.220410
H -4.589889 0.595006 -0.950740
H -1.714511 -1.186963 0.284427
H -3.309858 -0.159083 -2.988570
H -4.433410 -1.434156 -2.418628
H -2.689047 -1.579901 -2.079523
H -0.280231 2.133251 -0.587637
H 3.014946 -1.537577 0.316847
H 2.163796 2.571901 -0.778563
H -4.291046 -0.670475 1.015428
H -2.479371 3.354566 1.571971


