%chk=000036057.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036057

0 1
 O  -0.4851000      -1.903400      0.1454000    
 O    1.052500      -3.277000     -0.8786000    
 O    1.707500       2.495700      0.1800000    
 O    5.268200     -0.6898000      0.5154000    
 O    4.392200       1.937100      0.5713000    
 N   -5.012800      0.6315000     -0.2258000    
 C   -4.578000     -0.5775000      0.4642000    
 C   -3.281900      -1.102600     -0.1508000    
 C   -2.813100      -2.375400      0.5522000    
 C   -6.285400       1.106800      0.3197000    
 C   -3.994000       1.677800     -0.1234000    
 C   -1.499000      -2.884800     -2.5200000E-02
 C   -7.358300      3.5500001E-02  0.2234000    
 C   -4.404900       2.921300     -0.8934000    
 C   0.7492000      -2.229500     -0.3287000    
 C    1.713800      -1.126500     -8.9000002E-02
 C    3.045200      -1.434200      0.1019000    
 C    1.248700      0.1724000     -6.6399999E-02
 C    2.154900       1.209100      0.1567000    
 C    3.951300     -0.3974000      0.3252000    
 C    3.506200      0.9242000      0.3526000    
 C   0.3116000       2.700200     -2.8899999E-02
 C    6.096200     -0.7351000     -0.6451000    
 C    4.515100       2.921600     -0.4525000    
 H   -5.310300      -1.384200      0.3567000    
 H   -4.440000     -0.3970000       1.538400    
 H   -3.420400      -1.299000      -1.221200    
 H   -2.468000     -0.3812000     -4.7499999E-02
 H   -3.576200      -3.156900      0.4631000    
 H   -2.676500      -2.163000       1.619700    
 H   -6.187300       1.436500       1.361700    
 H   -6.661200       1.954600     -0.2623000    
 H   -3.773000       1.939000      0.9190000    
 H   -3.057000       1.374300     -0.5964000    
 H   -1.619800      -3.108700      -1.091800    
 H   -1.207200      -3.802800      0.4981000    
 H   -8.341200      0.4862000      0.4029000    
 H   -7.236900     -0.7488000      0.9770000    
 H   -7.389200     -0.4234000     -0.7709000    
 H   -4.750900       2.678300      -1.904000    
 H   -5.182200       3.494600     -0.3789000    
 H   -3.543000       3.590600     -0.9967000    
 H    3.396300      -2.462300      8.5199997E-02
 H   0.1946000      0.3484000     -0.2432000    
 H   0.1326000       3.779000      2.8300000E-02
 H   1.5000000E-03   2.381100      -1.030000    
 H  -0.2890000       2.237800      0.7621000    
 H    6.104000      0.2344000      -1.152900    
 H    7.115700     -0.9723000     -0.3293000    
 H    5.751900      -1.515600      -1.331200    
 H    3.881400       3.782600     -0.2226000    
 H    5.554800       3.261600     -0.4694000    
 H    4.271100       2.521700      -1.443000    


%chk=000036057-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036057

0 1
O -0.573744 -1.909853 0.640403
O 0.839316 -3.578034 -0.167802
O 2.200901 2.347430 0.832194
O 5.205665 -1.113390 -0.925497
O 4.745257 1.629153 -0.036564
N -5.120898 0.685321 -0.251302
C -4.664535 -0.369444 0.692385
C -3.425836 -1.135112 0.180562
C -2.921705 -2.183581 1.196574
C -6.579214 0.963705 -0.144809
C -4.295653 1.920519 -0.159029
C -1.666065 -2.922439 0.731260
C -7.448062 -0.127465 -0.799487
C -4.304483 2.750110 -1.457493
C 0.657108 -2.378919 0.160842
C 1.678643 -1.297236 0.095207
C 2.962814 -1.627783 -0.379661
C 1.378659 0.032412 0.490670
C 2.381377 1.016190 0.415267
C 3.969894 -0.639179 -0.474752
C 3.692500 0.701098 -0.070706
C 0.917998 2.689297 1.453150
C 6.147453 -0.226866 -1.632017
C 4.569145 2.899770 -0.774971
H -5.491057 -1.091665 0.830839
H -4.447159 0.055424 1.707684
H -3.686971 -1.624209 -0.777678
H -2.603121 -0.429473 -0.040683
H -3.710485 -2.942267 1.379583
H -2.713243 -1.699643 2.171424
H -6.891063 1.108266 0.921925
H -6.778180 1.921604 -0.659065
H -4.616875 2.561086 0.703109
H -3.254477 1.613860 0.052879
H -1.795891 -3.386849 -0.263910
H -1.350686 -3.708147 1.441954
H -8.519908 0.136956 -0.728777
H -7.314533 -1.110798 -0.312959
H -7.177793 -0.236639 -1.864089
H -3.926750 2.141695 -2.297324
H -5.320680 3.096079 -1.719573
H -3.664567 3.646353 -1.349913
H 3.188463 -2.651036 -0.691083
H 0.378134 0.257559 0.862952
H 1.013823 3.745765 1.744020
H 0.079687 2.571908 0.739122
H 0.732582 2.067978 2.349842
H 6.632491 0.474834 -0.936429
H 6.885061 -0.913807 -2.075774
H 5.634936 0.338473 -2.434475
H 3.710079 3.463364 -0.378689
H 5.505884 3.454303 -0.612525
H 4.430463 2.698822 -1.855712


