%chk=000170822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170822

0 1
 O   -2.250700      -1.913400      -1.754100    
 O  -0.7845000       1.903200       1.802200    
 O   -3.006100      -2.005100      0.8578000    
 N   -1.832900     -7.2300002E-02   1.293100    
 C  -0.1473000      0.8470000     -0.2935000    
 C   -1.024800      9.1200002E-02  -1.315500    
 C   8.5400000E-02   2.283400     -0.8176000    
 C   -1.415300      -1.284800     -0.7964000    
 C    1.219700      0.1682000     -9.5299996E-02
 C  -0.9465000      0.9680000       1.015200    
 C   -2.168900      -1.172800      0.5104000    
 C   -1.226100       3.017500      -1.002500    
 C    1.601500     -0.2559000       1.173200    
 C    2.063000     -1.5200000E-02  -1.186000    
 C    2.840600     -0.8707000       1.352700    
 C    3.302000     -0.6303000      -1.006600    
 C    3.690900      -1.058100      0.2628000    
 H  -0.5311000     -8.5000005E-03  -2.290000    
 H   -1.958700      0.6291000      -1.519600    
 H   0.6217000       2.286200      -1.774200    
 H   0.7118000       2.847400     -0.1134000    
 H  -0.5436000      -1.927200     -0.6399000    
 H   -2.332500      4.9999999E-03   2.175000    
 H   -1.763800       2.678700      -1.893100    
 H   -1.906200       2.974600     -0.1493000    
 H   -1.013000       4.079600      -1.174600    
 H   0.9780000     -0.1350000       2.052000    
 H    1.783600      0.3070000      -2.184500    
 H   -3.008600      -1.329500      -1.928500    
 H    3.144000      -1.204300       2.340800    
 H    3.964000     -0.7767000      -1.855100    
 H    4.655500      -1.537100      0.4027000    


%chk=000170822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170822

0 1
O -2.280125 -1.738042 -2.198395
O -0.880900 1.562320 2.008747
O -3.207863 -2.091995 0.387358
N -1.925717 -0.312056 1.171376
C -0.211412 0.858210 -0.278790
C -1.061457 0.235226 -1.421538
C 0.108556 2.365895 -0.573073
C -1.480990 -1.206521 -1.105304
C 1.154619 0.134158 -0.070484
C -1.006602 0.763005 1.044634
C -2.280883 -1.256018 0.200373
C -1.109618 3.282661 -0.810545
C 1.859332 0.284527 1.153761
C 1.777739 -0.591451 -1.119158
C 3.138313 -0.286699 1.328581
C 3.060154 -1.159470 -0.945811
C 3.746555 -1.012962 0.279798
H -0.509009 0.256848 -2.375677
H -1.978425 0.830491 -1.576822
H 0.779815 2.388466 -1.453517
H 0.689310 2.752935 0.283270
H -0.579688 -1.840004 -0.951931
H -2.431999 -0.355544 2.065544
H -1.674215 3.013648 -1.721171
H -1.800895 3.263690 0.050979
H -0.768591 4.326278 -0.935017
H 1.409423 0.854671 1.974022
H 1.277507 -0.717449 -2.085163
H -2.931013 -2.383436 -1.806129
H 3.660122 -0.160444 2.283747
H 3.519655 -1.715979 -1.770342
H 4.739404 -1.455756 0.414874


