%chk=000150345.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150345

0 1
 O   -7.973700      0.5516000     -4.3900002E-02
 O  -0.5495000      0.9102000     -0.4018000    
 N   -5.131900      0.4543000     -0.1732000    
 N   -1.718400     -0.7309000      0.7458000    
 N    2.046300      0.7619000      5.7300001E-02
 N    5.359700      -1.795400     -0.1665000    
 C   -5.862700      4.6000001E-03   1.019800    
 C   -5.962600      0.2707000      -1.371400    
 C   -3.864600     -0.2613000     -0.3058000    
 C   -7.186600      0.7555000       1.130200    
 C   -7.283600       1.016400      -1.204600    
 C   -2.953200      7.4000000E-03  0.8826000    
 C   0.5768000      -1.101400      2.6300000E-02
 C    1.864200     -0.5719000      5.5999998E-03
 C    2.945400      -1.466200     -6.9899999E-02
 C  -0.5854000     -0.2228000      0.1043000    
 C    4.236200     -0.9282000     -9.0499997E-02
 C    4.430900      0.4557000     -3.7099998E-02
 C    3.291700       1.274900      3.7200000E-02
 C   0.3496000      -2.478900     -2.5800001E-02
 C    2.720400      -2.852900     -0.1225000    
 C    1.423400      -3.356800     -0.1004000    
 C    5.716700       1.023700     -5.6299999E-02
 C    3.479000       2.653500      9.0700001E-02
 C    5.876800       2.405000     -1.9000000E-03
 C    4.755300       3.221300      7.1699999E-02
 H   -5.316900      0.2145000       1.943300    
 H   -6.056100      -1.074700      0.9679000    
 H   -6.164300     -0.7960000      -1.534800    
 H   -5.445700      0.6586000      -2.256600    
 H   -4.029200      -1.342000     -0.4152000    
 H   -3.352200      6.9100000E-02  -1.218900    
 H   -7.759800      0.3783000       1.983400    
 H   -7.031500       1.830400       1.284500    
 H   -7.130200       2.100000      -1.130100    
 H   -7.927500      0.8320000      -2.070400    
 H   -2.727100       1.076000      0.9705000    
 H   -3.374600     -0.3359000       1.830200    
 H   -1.687200      -1.642500       1.190300    
 H  -0.6487000      -2.906400     -4.7499999E-02
 H    3.519300      -3.584000     -0.1835000    
 H    1.252000      -4.427900     -0.1497000    
 H    6.626600      0.4360000     -0.1126000    
 H    2.615900       3.314200      0.1488000    
 H    5.254500      -2.797500     -0.2036000    
 H    6.303200      -1.440400     -0.1838000    
 H    6.870600       2.842000     -1.6799999E-02
 H    4.869000       4.300600      0.1147000    


%chk=000150345-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150345

0 1
O -7.354322 1.472773 0.907736
O -1.738497 -2.074725 -2.019213
N -4.793329 0.435233 0.001598
N -1.132516 -0.128929 -0.883416
N 1.390325 0.097439 -0.060468
N 5.310323 -1.551334 0.145590
C -4.896027 1.752749 0.677312
C -5.864948 -0.471790 0.485557
C -3.442522 -0.164447 0.078617
C -6.285107 2.364637 0.429113
C -7.241364 0.165331 0.235611
C -2.475341 0.454578 -0.964357
C 0.575384 -1.849658 -1.290372
C 1.651076 -1.128272 -0.625571
C 2.976844 -1.734724 -0.581589
C -0.859113 -1.360103 -1.423915
C 4.039414 -1.018728 0.078547
C 3.758532 0.263119 0.669494
C 2.403843 0.773681 0.566592
C 0.839851 -3.096563 -1.865459
C 3.183664 -3.015704 -1.191987
C 2.136888 -3.685160 -1.822175
C 4.744692 1.054542 1.350472
C 2.101204 2.052859 1.150176
C 4.420190 2.291051 1.905975
C 3.081380 2.794719 1.803405
H -4.124380 2.436576 0.276875
H -4.729785 1.657259 1.781519
H -5.759903 -0.691487 1.578646
H -5.798325 -1.429007 -0.064412
H -2.995999 -0.071744 1.100532
H -3.521883 -1.241421 -0.152950
H -6.413789 3.305317 0.990362
H -6.414866 2.554629 -0.658346
H -7.396200 0.293478 -0.857414
H -8.051360 -0.452816 0.657317
H -2.899260 0.270064 -1.967356
H -2.385243 1.546330 -0.817821
H -0.317694 0.337362 -0.415792
H -0.000035 -3.602671 -2.353953
H 4.169865 -3.495669 -1.176608
H 2.306331 -4.662676 -2.285038
H 5.778682 0.701304 1.448988
H 1.072795 2.416423 1.059816
H 5.527054 -2.454707 -0.263254
H 6.064430 -1.052736 0.607317
H 5.185185 2.880680 2.421786
H 2.834155 3.767340 2.242511


