%chk=000080573.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080573

0 1
 O    2.063600      -2.345100      1.9999999E-04
 O    3.496100     -0.6816000     -3.9999999E-04
 N    2.321500      -1.118700      9.9999997E-05
 N    2.790200       1.703700     -3.0000001E-04
 C   -2.537100     -0.3070000     -9.9999997E-05
 C   -1.095700      0.2286000      9.9999997E-05
 C   -3.276900      0.1935000      -1.259500    
 C   -3.278600      0.1956000       1.257600    
 C   -2.630800      -1.849700      1.2000001E-03
 C  -6.4199999E-02 -0.6765000      3.0000001E-04
 C  -0.9068000       1.587800      1.9999999E-04
 C    1.243000     -0.1901000      1.9999999E-04
 C   0.4004000       2.074300      9.9999997E-05
 C    1.475300       1.185300      1.9999999E-04
 H   -4.295200     -0.2105000      -1.305400    
 H   -3.367000       1.284900      -1.285700    
 H   -2.754900     -0.1160000      -2.172800    
 H   -3.369200       1.287000       1.281700    
 H   -4.296700     -0.2087000       1.303200    
 H   -2.757500     -0.1119000       2.172100    
 H   -3.679300      -2.173900      1.3000000E-03
 H   -2.170000      -2.291100     -0.8904000    
 H   -2.170200      -2.289500      0.8937000    
 H  -0.2297000      -1.745700      3.0000001E-04
 H   -1.726900       2.297600       0.000000    
 H   0.5670000       3.148500     -9.9999997E-05
 H    3.601900       1.105000      1.7000000E-03
 H    2.925000       2.706700      6.0000003E-04


%chk=000080573-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080573

0 1
O 2.085933 -2.408391 0.001218
O 3.620472 -0.727622 0.001728
N 2.374590 -1.147252 0.002174
N 2.835772 1.776191 0.000058
C -2.599605 -0.331840 -0.000225
C -1.143383 0.179885 -0.000034
C -3.332894 0.193205 -1.271767
C -3.333540 0.194098 1.270576
C -2.672441 -1.879474 0.000297
C -0.031896 -0.671250 0.000807
C -0.877083 1.589082 -0.000671
C 1.297962 -0.168193 0.001021
C 0.419358 2.102653 -0.000540
C 1.568154 1.244477 0.000239
H -4.382097 -0.156508 -1.276555
H -3.346461 1.297216 -1.313396
H -2.840739 -0.175434 -2.189926
H -3.347142 1.298138 1.311418
H -4.382747 -0.155613 1.275093
H -2.841848 -0.173882 2.189246
H -3.729964 -2.199886 0.000182
H -2.191119 -2.312699 -0.895525
H -2.191493 -2.312077 0.896619
H -0.139077 -1.757678 0.001438
H -1.714516 2.296205 -0.001338
H 0.580192 3.187221 -0.001156
H 3.623615 1.117381 -0.000343
H 2.969299 2.784545 -0.000541


