%chk=000088570.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088570

0 1
 O   -5.835900     -0.1717000      5.0400000E-02
 O   -1.016400      0.8861000     -1.2900000E-02
 N   -3.029800     -0.2662000     -7.2400004E-02
 N  -0.8638000      -1.369300     -8.3300002E-02
 C   -3.819300      -1.503100     -0.1210000    
 C   -3.748100      0.9313000     -0.5196000    
 C   -5.141200      -1.289600      0.6061000    
 C   -5.080300       1.028600      0.2172000    
 C   -1.653600     -0.3173000     -5.8400001E-02
 C   0.3037000      0.5506000     -8.8999998E-03
 C   0.3918000     -0.8187000     -5.1500000E-02
 C    1.227400       1.647000      3.6300000E-02
 C    1.601100      -1.581600     -6.2199999E-02
 C    2.475200       1.492700      0.6500000    
 C   0.8888000       2.879900     -0.5318000    
 C    2.182500      -1.995300       1.139900    
 C    2.209500      -1.918500      -1.274900    
 C    3.373600       2.558700      0.6953000    
 C    1.787400       3.945800     -0.4866000    
 C    3.362400      -2.739100       1.129500    
 C    3.389400      -2.662500      -1.285200    
 C    3.029800       3.785200      0.1270000    
 C    3.965700      -3.072800     -8.2900003E-02
 H   -3.285700      -2.338600      0.3464000    
 H   -4.003200      -1.761000      -1.171000    
 H   -3.922500      0.8506000      -1.599400    
 H   -3.181200       1.850800     -0.3379000    
 H   -5.778400      -2.172100      0.4914000    
 H   -4.987400      -1.125700       1.679400    
 H   -4.931800       1.218100       1.287200    
 H   -5.671300       1.856100     -0.1878000    
 H    2.775800      0.5733000       1.135500    
 H  -6.9799997E-02   3.031700      -1.022600    
 H    1.724500      -1.745900       2.094500    
 H    1.773700      -1.606700      -2.221400    
 H    4.338000       2.436600       1.179800    
 H    1.520600       4.900600     -0.9301000    
 H    3.811100      -3.058800       2.065400    
 H    3.859500      -2.922300      -2.229100    
 H    3.728800       4.615600      0.1636000    
 H    4.884400      -3.652100     -9.1100000E-02


%chk=000088570-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088570

0 1
O -5.803614 -0.224910 0.542176
O -1.010772 1.000105 -0.309965
N -3.039160 -0.230655 -0.162459
N -0.849198 -1.269564 0.019356
C -3.781314 -1.507993 -0.118380
C -3.846136 0.981119 -0.405199
C -4.950144 -1.381507 0.875287
C -5.016015 1.018344 0.598661
C -1.672477 -0.232422 -0.144502
C 0.397501 0.666587 -0.215896
C 0.464236 -0.719414 -0.044189
C 1.303656 1.812541 -0.240011
C 1.618985 -1.636357 0.015975
C 2.571718 1.773225 0.410463
C 0.910739 3.020636 -0.887826
C 1.478578 -2.875200 0.700418
C 2.850419 -1.353391 -0.636978
C 3.423765 2.895427 0.387740
C 1.765333 4.141745 -0.900889
C 2.550641 -3.789851 0.759537
C 3.919608 -2.271547 -0.579537
C 3.030146 4.085780 -0.269662
C 3.779155 -3.491216 0.124594
H -3.083553 -2.307476 0.180246
H -4.176171 -1.741520 -1.128828
H -4.248269 0.961073 -1.439678
H -3.209938 1.873935 -0.293508
H -5.612561 -2.260592 0.821107
H -4.558476 -1.271694 1.909358
H -4.623710 1.169169 1.627451
H -5.722190 1.826901 0.348826
H 2.877792 0.871449 0.949650
H -0.065957 3.067891 -1.379735
H 0.517723 -3.104588 1.171341
H 2.962890 -0.427179 -1.209917
H 4.392824 2.845691 0.896997
H 1.445786 5.059546 -1.407332
H 2.427472 -4.737138 1.296643
H 4.859157 -2.040776 -1.094311
H 3.694806 4.956500 -0.282444
H 4.611724 -4.202277 0.168321


