%chk=000151793.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151793

0 1
 O   -4.996400     -0.6389000      0.4150000    
 O   -2.976300       2.239400      0.8577000    
 O   -1.894900      -3.459800     -0.1669000    
 O   -5.458200       1.415000       1.194000    
 N  -0.2905000      -1.798100     -6.6399999E-02
 N    2.193100      0.8027000      4.4100001E-02
 N    3.754300       3.088700      0.1395000    
 C   -3.370400       1.158900      8.5000005E-03
 C   -2.303300      9.9200003E-02  6.6000000E-03
 C   3.6200002E-02 -0.4532000     -9.7000003E-03
 C   -2.647200      -1.199500     -6.2600002E-02
 C   0.9246000      -2.638000     -9.6900001E-02
 C  -0.9034000      0.4951000      2.2600001E-02
 C    2.014400      -1.618300     -5.4200001E-02
 C    1.487500     -0.3357000     -3.3000000E-03
 C   -1.589400      -2.271400     -0.1029000    
 C   -3.628800       1.702800      -1.398600    
 C   -4.077000      -1.617400     -0.1177000    
 C   -4.683200      0.6641000      0.6043000    
 C    3.381200      -1.765400     -5.7599999E-02
 C    4.173700     -0.6065000     -9.9999998E-03
 C   -4.681600       2.792400      -1.381900    
 C    3.534800      0.6650000      4.0199999E-02
 C    4.340100       1.798200      8.6999997E-02
 C    5.575000     -0.6906000     -1.1600000E-02
 C    5.734100       1.707400      8.5199997E-02
 C    6.351800      0.4637000      3.5399999E-02
 H   0.9274000      -3.223500      -1.021100    
 H   0.9230000      -3.294100      0.7785000    
 H  -0.6430000       1.547100      5.2400000E-02
 H   -3.946300      0.9049000      -2.081200    
 H   -2.706100       2.135000      -1.806500    
 H   -4.377800      -1.838200      -1.147100    
 H   -4.231800      -2.522700      0.4786000    
 H    3.826900      -2.754800     -9.6500002E-02
 H   -5.678900       2.401100      -1.160600    
 H   -4.448600       3.591400     -0.6716000    
 H   -4.742900       3.252700      -2.374500    
 H   -2.759600       1.876300       1.734000    
 H    6.072300      -1.657500     -4.9899999E-02
 H    6.348600       2.603600      0.1223000    
 H    7.435200      0.3919000      3.3799998E-02
 H    2.747000       3.181400      0.1403000    
 H    4.341000       3.911700      0.1718000    


%chk=000151793-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151793

0 1
O -4.885635 -0.628964 0.739081
O -2.909822 2.498994 0.636877
O -1.827624 -3.420248 -0.323110
O -5.150944 1.430682 1.698944
N -0.261181 -1.683546 -0.165251
N 2.328439 0.812454 0.097251
N 3.883354 3.016435 0.325971
C -3.372183 1.257275 0.029219
C -2.238164 0.236298 -0.009597
C 0.098738 -0.338570 -0.035696
C -2.592683 -1.110429 -0.128102
C 0.912021 -2.597635 -0.233969
C -0.873834 0.649742 0.048160
C 2.073330 -1.631260 -0.132301
C 1.564828 -0.286725 -0.014164
C -1.593480 -2.169816 -0.212718
C -3.872218 1.560086 -1.427076
C -4.041532 -1.516246 -0.133379
C -4.536752 0.698649 0.889868
C 3.445839 -1.835747 -0.135161
C 4.315399 -0.694392 -0.019176
C -5.042289 2.560485 -1.483782
C 3.696501 0.615375 0.095855
C 4.526889 1.801711 0.218335
C 5.738738 -0.801410 -0.012382
C 5.931029 1.649157 0.220675
C 6.517085 0.359116 0.106031
H 0.882841 -3.171170 -1.178698
H 0.860447 -3.330725 0.592123
H -0.609069 1.698647 0.177088
H -4.144175 0.615637 -1.935777
H -2.996810 1.973122 -1.962660
H -4.494488 -1.493349 -1.143112
H -4.167240 -2.527999 0.280972
H 3.883097 -2.836918 -0.222282
H -5.953304 2.165317 -0.999500
H -4.768735 3.504856 -0.983023
H -5.291890 2.791859 -2.534617
H -3.598731 2.766169 1.308839
H 6.209047 -1.786618 -0.099128
H 6.574111 2.531830 0.312149
H 7.609968 0.278147 0.111771
H 2.862780 3.007790 0.317093
H 4.394905 3.888034 0.420856


