%chk=000158812.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158812

0 1
 O   -2.435400      -1.599700      0.2205000    
 O   -5.048400      -1.608900     -0.8553000    
 N   0.3878000      -1.266500      9.8399997E-02
 N   -1.603600       1.837900      5.0500002E-02
 C    1.015000      0.8712000     -1.2400000E-02
 C  -8.8100001E-02  2.1600001E-02  6.5200001E-02
 C    2.185600      4.8300002E-02 -2.4700001E-02
 C    1.762100      -1.279500      4.5299999E-02
 C   0.7896000       2.256000     -5.9799999E-02
 C   -1.390600      0.5026000      9.6699998E-02
 C    3.569800      0.3122000     -8.9100003E-02
 C    2.653200      -2.358700      5.4200001E-02
 C  -0.5368000       2.665200     -2.4800001E-02
 C   -2.553800     -0.3543000      0.1762000    
 C    1.868900       3.282200     -0.1433000    
 C   -3.971400      0.2616000      0.2069000    
 C    4.473200     -0.7566000     -8.0899999E-02
 C    4.019400      -2.071500     -1.0200000E-02
 C   -5.096300     -0.7631000      0.2866000    
 H  -0.1905000      -2.093400      0.1542000    
 H    3.949800       1.327500     -0.1448000    
 H    2.300400      -3.383100      0.1092000    
 H  -0.7993000       3.719100     -5.7500001E-02
 H    2.458500       3.138200      -1.054200    
 H    1.466200       4.300300     -0.1689000    
 H    2.527600       3.210400      0.7279000    
 H   -4.034200      0.9329000       1.069900    
 H   -4.085700      0.8446000     -0.7146000    
 H    5.540200     -0.5568000     -0.1303000    
 H    4.737500      -2.887500     -4.9999999E-03
 H   -5.014100      -1.384000       1.184400    
 H   -6.068300     -0.2613000      0.2991000    
 H   -4.233100      -2.135400     -0.8019000    


%chk=000158812-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158812

0 1
O -2.391766 -1.628435 -0.003744
O -5.158920 -1.979793 -0.358807
N 0.337815 -1.267692 -0.026297
N -1.638975 1.912644 0.012159
C 1.036924 0.928923 -0.012451
C -0.102969 0.046090 -0.013242
C 2.220312 0.073421 -0.027298
C 1.743460 -1.287095 -0.035554
C 0.803056 2.325237 0.001279
C -1.429468 0.555743 -0.004454
C 3.616494 0.315349 -0.033627
C 2.621613 -2.389453 -0.049540
C -0.562673 2.743114 0.014369
C -2.593879 -0.357308 -0.018810
C 1.920773 3.341864 0.005076
C -3.998477 0.217082 -0.068538
C 4.500422 -0.783581 -0.047839
C 4.006891 -2.118526 -0.055615
C -5.066471 -0.765610 0.455983
H -0.328198 -2.045892 -0.021624
H 4.010841 1.335984 -0.027759
H 2.247889 -3.418351 -0.055988
H -0.792876 3.815102 0.028777
H 2.561824 3.233843 -0.890387
H 1.525247 4.371361 0.017839
H 2.572890 3.215831 0.890090
H -4.015139 1.182984 0.467296
H -4.220052 0.458918 -1.129370
H 5.581690 -0.610922 -0.053091
H 4.716198 -2.953412 -0.066821
H -4.858925 -1.016248 1.519260
H -6.062002 -0.295095 0.398113
H -4.248350 -2.384576 -0.341886


