%chk=000018346.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018346

0 1
 O   -2.116700     -0.2231000      -1.355000    
 O    5.131600     -3.3599999E-02 -3.5700001E-02
 O    4.593400       2.129300     -0.6114000    
 N   -4.529400     -0.3867000     -0.1696000    
 N   -1.075000     -0.5891000      0.7164000    
 C   -4.395400       1.064500      1.9099999E-02
 C   -5.816800     -0.8729000      0.3462000    
 C   -5.520100       1.819700     -0.6910000    
 C   -6.987900     -0.1812000     -0.3530000    
 C   -6.890100       1.335300     -0.2303000    
 C   -3.421200      -1.091000      0.4750000    
 C   -3.593400      -2.594700      0.2952000    
 C   -2.139100     -0.5855000     -0.1821000    
 C   0.2614000     -0.1918000      0.4737000    
 C   0.6297000       1.128000      0.6881000    
 C    1.180400      -1.129200      2.6100000E-02
 C    1.947000       1.519500      0.4492000    
 C    2.497800     -0.7378000     -0.2128000    
 C    2.881000      0.5864000     -1.2000001E-03
 C  -0.3481000       2.150200       1.170400    
 C   0.8000000      -2.555100     -0.2103000    
 C    4.254600      0.9944000     -0.2507000    
 C    6.519700      0.2454000     -0.2478000    
 C    7.323700      -1.013200      4.0800001E-02
 C    8.813000     -0.7879000     -0.1494000    
 H   -3.461500       1.470600     -0.3796000    
 H   -4.413700       1.315200       1.088800    
 H   -5.890500     -0.7189000       1.430800    
 H   -5.959200      -1.940400      0.1521000    
 H   -5.428100       1.681700      -1.775800    
 H   -5.426000       2.894100     -0.4959000    
 H   -7.000800     -0.4613000      -1.414200    
 H   -7.934200     -0.5255000      7.9700001E-02
 H   -7.050200       1.629000      0.8144000    
 H   -7.677500       1.812600     -0.8239000    
 H   -3.390400     -0.8628000       1.549300    
 H   -3.858400      -2.858800     -0.7355000    
 H   -4.338300      -3.016600      0.9774000    
 H   -2.649700      -3.110300      0.5115000    
 H   -1.205500      -1.089300       1.593000    
 H    2.246900       2.551600      0.6159000    
 H    3.213600      -1.471000     -0.5769000    
 H  -0.8521000       1.806200       2.079900    
 H   -1.096100       2.354500      0.3977000    
 H   0.1416000       3.098800       1.416100    
 H   7.6300003E-02  -2.626200      -1.028900    
 H   0.3663000      -2.993300      0.6949000    
 H    1.665000      -3.169700     -0.4823000    
 H    6.830000       1.054900      0.4230000    
 H    6.669200      0.5600000      -1.287100    
 H    6.982600      -1.825100     -0.6126000    
 H    7.126000      -1.348900       1.065800    
 H    9.036000     -0.4884000      -1.178400    
 H    9.366100      -1.707900      6.3900001E-02
 H    9.180700     -6.8000001E-03  0.5235000    


%chk=000018346-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018346

0 1
O -2.046473 0.025955 -1.665453
O 5.246752 -0.098530 0.053740
O 4.732127 2.091026 -0.557557
N -4.647192 -0.300829 -0.183968
N -1.155982 -0.573422 0.420871
C -4.451116 0.933294 0.623221
C -5.945231 -0.952205 0.133022
C -5.590507 1.945311 0.393739
C -7.127592 0.009671 -0.105824
C -6.961820 1.310007 0.710275
C -3.487839 -1.218553 -0.079475
C -3.632893 -2.474088 -0.974648
C -2.185010 -0.500142 -0.528694
C 0.211381 -0.171557 0.244972
C 0.548253 1.161436 -0.137829
C 1.221679 -1.147375 0.514915
C 1.917124 1.479566 -0.283789
C 2.575392 -0.784568 0.370523
C 2.931290 0.524056 -0.039124
C -0.501523 2.232911 -0.339860
C 0.844946 -2.559711 0.927176
C 4.349986 0.943779 -0.212423
C 6.691703 0.232406 -0.105915
C 7.482499 -1.037865 0.210718
C 9.002891 -0.799448 0.071619
H -3.489825 1.391959 0.331318
H -4.389935 0.689165 1.719196
H -5.967332 -1.304133 1.200860
H -6.069500 -1.838788 -0.510539
H -5.566469 2.268473 -0.664392
H -5.415626 2.839151 1.022968
H -7.169819 0.254222 -1.184644
H -8.071237 -0.505214 0.159246
H -7.021188 1.076910 1.794013
H -7.781451 2.018018 0.485474
H -3.349863 -1.557795 0.988391
H -3.863795 -2.158807 -2.005944
H -4.421558 -3.154673 -0.612684
H -2.685358 -3.043015 -0.990376
H -1.363844 -1.130089 1.255016
H 2.216416 2.491481 -0.577210
H 3.365132 -1.517114 0.559418
H -1.241185 2.224420 0.483007
H -1.062156 2.058725 -1.275699
H -0.037391 3.232358 -0.378159
H 0.137224 -3.014981 0.208918
H 0.365437 -2.594033 1.926817
H 1.739351 -3.202026 0.978084
H 6.941612 1.062665 0.581037
H 6.860859 0.582838 -1.141292
H 7.159306 -1.844961 -0.473172
H 7.241057 -1.368642 1.238311
H 9.268112 -0.486123 -0.955429
H 9.566674 -1.721479 0.298402
H 9.351709 -0.011741 0.765333


