%chk=000161069.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161069

0 1
 O   -2.210800       3.679700     -0.2206000    
 O   -2.688700      -3.276800      0.3128000    
 N  -0.8253000       1.765300      4.4000000E-03
 N   -1.770000     -0.4149000      0.1260000    
 N   -3.186200       1.293200     -0.1498000    
 N   -5.184600     -8.3499998E-02 -0.1901000    
 N   -4.834800      -2.465600      5.9400000E-02
 N   -6.969900      -1.535200     -0.2048000    
 C    2.430300      0.2758000     -0.7674000    
 C    3.408500     -0.2143000      -1.814600    
 C    2.967400      0.1070000      0.5286000    
 C    4.567100     -0.6828000     -0.9594000    
 C    4.283200     -0.4835000      0.4103000    
 C    1.174600      0.8230000     -0.9641000    
 C   0.4448000       1.208100      0.1620000    
 C    2.243100      0.4889000       1.645500    
 C   0.9737000       1.043000       1.453700    
 C    5.765000      -1.236200      -1.376500    
 C    5.206100     -0.8405000       1.379300    
 C   -1.978700      0.9010000     -1.2700000E-02
 C    6.695000      -1.596000     -0.3996000    
 C    6.418500      -1.400200      0.9646000    
 C   -3.019700     -0.9629000      7.1999997E-02
 C   -3.858100      0.1092000     -9.7000003E-02
 C   -1.099400       3.164100     -6.5399997E-02
 C   -3.452600      -2.330500      0.1618000    
 C   0.1067000       4.073800      4.4000000E-02
 C   -5.605200      -1.409300     -0.1026000    
 H    3.717200      0.6052000      -2.470000    
 H    2.983600      -1.047500      -2.381800    
 H   0.7760000      0.9475000      -1.965800    
 H    2.638000      0.3678000       2.648600    
 H   0.3960000       1.347200       2.324100    
 H    5.979900      -1.387700      -2.428400    
 H    5.007100     -0.6954000       2.435800    
 H    7.645200      -2.033000     -0.6954000    
 H    7.158600      -1.688500       1.706500    
 H  -0.9013000     -0.9204000      0.2452000    
 H   -5.856000      0.6668000     -0.3153000    
 H   0.8229000       3.855000     -0.7521000    
 H   0.5806000       3.957600       1.021800    
 H  -0.2122000       5.115500     -6.0100000E-02
 H   -7.417400      -2.444000     -0.1576000    
 H   -7.568400     -0.7260000     -0.3286000    


%chk=000161069-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161069

0 1
O -2.070441 3.714712 1.211072
O -6.369948 1.180034 0.496678
N -0.818426 1.801046 0.728459
N -3.259658 1.452339 0.608817
N -1.885837 -0.325470 0.173000
N -3.718840 -1.948154 -0.261238
N -5.977760 -1.084645 -0.073158
N -5.614271 -3.322897 -0.635194
C 2.343562 0.517744 -0.845623
C 3.203507 0.336001 -2.090103
C 3.000108 -0.050697 0.290286
C 4.431292 -0.390034 -1.551507
C 4.292879 -0.610376 -0.146608
C 1.084994 1.123867 -0.713644
C 0.484302 1.160670 0.566637
C 2.386532 -0.016766 1.562602
C 1.119074 0.591404 1.694590
C 5.581669 -0.826852 -2.231155
C 5.307660 -1.270236 0.581566
C -1.957840 0.995821 0.508467
C 6.600412 -1.488290 -1.500015
C 6.463050 -1.707524 -0.105983
C -4.099325 0.367777 0.323422
C -3.216585 -0.691785 0.064586
C -0.931251 3.165863 1.080082
C -5.555017 0.236132 0.268850
C 0.361549 3.931804 1.293439
C -5.118338 -2.072150 -0.311644
H 3.466532 1.304436 -2.559005
H 2.680198 -0.257138 -2.865685
H 0.558321 1.552062 -1.573351
H 2.875754 -0.458164 2.437346
H 0.610251 0.617368 2.664034
H 5.695834 -0.661899 -3.308691
H 5.208186 -1.443250 1.659069
H 7.503190 -1.834021 -2.015704
H 7.261242 -2.220727 0.441640
H -3.497093 2.421117 0.854734
H -3.077392 -2.720370 -0.446460
H 1.008111 3.901248 0.399303
H 0.947095 3.512066 2.130068
H 0.098020 4.974684 1.521038
H -6.627150 -3.406991 -0.668755
H -5.028352 -4.129759 -0.829558


