%chk=000082416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082416

0 1
 O    6.076100      -1.912700       1.735200    
 O   0.7269000       3.087700     -0.4818000    
 O  -0.5489000       2.778600       1.823100    
 O   -5.602000      -2.318600      -1.042800    
 N    4.725300     -0.7878000     -0.5034000    
 N   0.9702000       1.091600      -1.636400    
 C    3.517100     -0.4628000      -1.258500    
 C    4.863400      -2.241700     -0.3403000    
 C    4.710500     -0.1328000      0.8119000    
 C    3.438600       1.044400      -1.507800    
 C    6.123500      -2.555900      0.4611000    
 C    5.974900     -0.4962000       1.585300    
 C    2.201300       1.436700      -2.310200    
 C   0.3057000       1.951000     -0.7554000    
 C  -0.9125000       1.447300     -0.1359000    
 C   -2.873300      1.2500000E-02 -0.2625000    
 C   -3.266500      0.4479000       1.025400    
 C   -1.693300      0.5217000     -0.8289000    
 C   -1.299200       1.875700       1.130400    
 C   -2.468200       1.379900       1.708500    
 C   -3.671400     -0.9193000     -0.9459000    
 C   -4.446500     -6.0899999E-02   1.591900    
 C   -4.840700      -1.414400     -0.3678000    
 C   -5.227600     -0.9860000      0.8985000    
 C   -6.783400      -2.785700     -0.3936000    
 H    2.623000     -0.8148000     -0.7289000    
 H    3.542100     -0.9735000      -2.229400    
 H    3.988400      -2.650800      0.1816000    
 H    4.934300      -2.729900      -1.319000    
 H    4.713800      0.9572000      0.7379000    
 H    3.826900     -0.4409000       1.385800    
 H    4.332800       1.380900      -2.046700    
 H    3.385700       1.610700     -0.5734000    
 H    6.195100      -3.634200      0.6352000    
 H    7.030200      -2.245200     -7.2300002E-02
 H    6.876600     -0.1152000       1.090500    
 H    5.937800     -5.8499999E-02   2.588100    
 H    2.212000       2.515400      -2.500800    
 H    2.195400      0.9251000      -3.278600    
 H   0.6266000      0.1483000      -1.782700    
 H   -1.425700      0.1995000      -1.833200    
 H   -2.757300       1.724600       2.699900    
 H   -3.383300      -1.265400      -1.937000    
 H   -4.767200      0.2607000       2.580800    
 H   -6.122800      -1.329600       1.405600    
 H   0.2828000       2.962900       1.359000    
 H   -7.265300      -3.497300      -1.072100    
 H   -6.548200      -3.331100      0.5267000    
 H   -7.497500      -1.972700     -0.2234000    


%chk=000082416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082416

0 1
O 6.323268 -2.694567 1.265410
O 0.683443 3.363747 -0.305276
O -1.418939 3.849932 1.017159
O -5.145468 -2.909285 -0.425556
N 4.827868 -0.882737 -0.456968
N 1.031192 1.377431 -1.433571
C 3.637341 -0.337691 -1.151987
C 5.116885 -2.284078 -0.864447
C 4.733616 -0.796833 1.025208
C 3.523395 1.196672 -1.040658
C 6.416407 -2.768667 -0.201667
C 6.033797 -1.307973 1.667261
C 2.374061 1.781853 -1.894706
C 0.249167 2.191666 -0.650099
C -1.095200 1.718304 -0.204243
C -2.912442 0.033641 -0.110201
C -3.684692 0.927235 0.737836
C -1.628951 0.466443 -0.557057
C -1.884044 2.605303 0.641904
C -3.146874 2.196478 1.092075
C -3.449627 -1.241673 -0.471265
C -4.973782 0.485932 1.186146
C -4.710338 -1.636814 -0.014320
C -5.481977 -0.762176 0.825148
C -6.461131 -3.364311 0.028707
H 2.692132 -0.816042 -0.777998
H 3.732281 -0.605033 -2.224227
H 4.283987 -2.976233 -0.579003
H 5.230450 -2.320896 -1.964906
H 4.577529 0.254390 1.326708
H 3.870908 -1.398543 1.410065
H 4.477997 1.641258 -1.381169
H 3.369567 1.512972 0.006997
H 6.609954 -3.829255 -0.432775
H 7.266934 -2.146676 -0.555293
H 6.877210 -0.648370 1.369380
H 5.950176 -1.331011 2.766259
H 2.405168 2.882992 -1.848849
H 2.486909 1.473491 -2.952462
H 0.695220 0.446607 -1.677078
H -1.069672 -0.225639 -1.200080
H -3.713851 2.884584 1.726829
H -2.880825 -1.925999 -1.109651
H -5.566348 1.149568 1.826027
H -6.468988 -1.066902 1.185985
H -0.488026 3.965216 0.586717
H -6.582907 -4.365398 -0.410490
H -6.507499 -3.436675 1.132917
H -7.269082 -2.699839 -0.335035


