%chk=000031534.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031534

0 1
 O   -5.565800       2.006000     -9.7700000E-02
 O    1.459600       2.872300     -2.5599999E-02
 O    2.576800      -2.347600      2.9200001E-02
 N   -3.056200      0.7460000      1.9400001E-02
 N   3.7599999E-02  -2.975300      4.5899998E-02
 C   -1.754900      0.2333000      1.9400001E-02
 C   -3.707500      0.9851000      -1.275800    
 C   -3.498000       1.620300       1.111500    
 C   -1.503300      -1.144500      3.3300001E-02
 C   0.6100000      0.6797000      2.0999999E-03
 C   0.8729000     -0.6981000      1.6400000E-02
 C  -0.7054000       1.142800      3.8999999E-03
 C   -5.219600       1.039600      -1.089500    
 C   -5.021400       1.641400       1.170100    
 C  -0.1798000      -1.639500      3.2299999E-02
 C    1.705200       1.672000     -1.5200000E-02
 C    2.291800      -1.156200      1.4900000E-02
 C    3.101100       1.203200     -2.1299999E-02
 C    3.383400     -0.1611000     -7.1999999E-03
 C   -2.569900      -2.054400      4.8200000E-02
 C   -2.329500      -3.418100      6.1500002E-02
 C    4.146100       2.135800     -4.1499998E-02
 C    4.716100     -0.5944000     -1.3200000E-02
 C   -1.015000      -3.824300      6.0199998E-02
 C    5.470700       1.699600     -4.7699999E-02
 C    5.755400      0.3363000     -3.3599999E-02
 H   -3.460100      0.1972000      -1.996700    
 H   -3.347900       1.939600      -1.679500    
 H   -3.125400       2.636200      0.9331000    
 H   -3.103300       1.272800       2.073300    
 H  -0.9136000       2.210000     -1.5799999E-02
 H   -5.701000       1.332700      -2.027700    
 H   -5.622400      6.1000001E-02 -0.8011000    
 H   -5.422400      0.6661000       1.471900    
 H   -5.356600       2.379400       1.905800    
 H   -3.606700      -1.727000      5.4299999E-02
 H   -3.142700      -4.133700      7.4100003E-02
 H    3.949500       3.204600     -5.2800000E-02
 H    4.967000      -1.651800     -2.4999999E-03
 H  -0.7562000      -4.877700      7.0900001E-02
 H    6.280500       2.423300     -6.3400000E-02
 H    6.787200     -2.9000000E-03 -3.8400002E-02


%chk=000031534-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031534

0 1
O -5.753423 1.944304 -0.209489
O 1.452342 2.873749 0.589609
O 2.617260 -2.172499 -1.166286
N -3.120197 0.764266 0.034631
N 0.094377 -3.001867 -0.245716
C -1.793194 0.278412 0.042676
C -3.998916 0.466532 -1.135536
C -3.394638 2.116060 0.579818
C -1.540632 -1.150785 -0.055030
C 0.642453 0.648558 0.109536
C 0.927878 -0.707141 -0.195350
C -0.690955 1.129527 0.211444
C -5.475422 0.596719 -0.731368
C -4.887045 2.221033 0.947172
C -0.181626 -1.642946 -0.196068
C 1.734375 1.662648 0.315524
C 2.324039 -1.108863 -0.538240
C 3.141457 1.189525 0.231436
C 3.423340 -0.146555 -0.167871
C -2.585137 -2.118188 0.090054
C -2.290452 -3.480804 0.019000
C 4.202483 2.083091 0.525186
C 4.769095 -0.573671 -0.268930
C -0.928993 -3.871637 -0.165309
C 5.538055 1.645133 0.438542
C 5.820945 0.312743 0.041547
H -3.788005 -0.541001 -1.526642
H -3.783513 1.197087 -1.947002
H -3.137187 2.908335 -0.158749
H -2.786545 2.275593 1.487355
H -0.808200 2.205523 0.367523
H -6.136119 0.476371 -1.605168
H -5.730266 -0.165944 0.037111
H -5.118023 1.508590 1.768167
H -5.138168 3.245850 1.265463
H -3.599790 -1.776925 0.316521
H -3.067712 -4.240796 0.144627
H 3.951917 3.108412 0.815089
H 4.961122 -1.600155 -0.596265
H -0.658653 -4.933801 -0.209147
H 6.357933 2.332392 0.672800
H 6.860041 -0.027175 -0.027165


