%chk=000001279.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001279

0 1
 O   0.9638000      -4.075000      0.3420000    
 N  -0.4205000      -2.308500     -0.2717000    
 N    2.738400      -1.791600      -1.063800    
 N    4.378700       3.979100     -0.7307000    
 N    4.424300       3.541900       1.563000    
 C   -3.034900      -1.109100      0.1675000    
 C   -2.728400      -2.556000      0.5770000    
 C   -1.748300     -0.2734000      0.1968000    
 C   -1.622000      -3.146900     -0.2916000    
 C  -0.6451000     -0.9060000     -0.6523000    
 C   -4.099900     -0.5006000       1.076700    
 C   0.8032000      -2.886600      5.8200002E-02
 C   -4.780300      0.6724000      0.4257000    
 C    1.996600      -2.017000      6.4499997E-02
 C    3.664700     -0.6319000      0.8159000    
 C    2.404200      -1.351300       1.149400    
 C    3.629400     -0.9313000     -0.6749000    
 C   -4.262100       1.948700      0.6017000    
 C   -5.917800      0.4642000     -0.3432000    
 C    3.700200      0.8493000      0.9979000    
 C    4.550100     -0.1905000      -1.553500    
 C   -4.892800       3.036400     -2.0000001E-03
 C   -6.548400       1.552100     -0.9469000    
 C    4.280500       1.651800      7.8500003E-02
 C    4.838500       1.052200      -1.137500    
 C   -6.035900       2.838200     -0.7763000    
 C    4.363600       3.089500      0.3296000    
 H   -3.406200      -1.133500     -0.8671000    
 H   -3.629200      -3.174300      0.4879000    
 H   -2.417800      -2.584100       1.629400    
 H   -1.390900     -0.1769000       1.230300    
 H   -1.925600      0.7374000     -0.1823000    
 H   -1.395300      -4.163100      4.6300001E-02
 H   -1.951200      -3.217700      -1.335300    
 H  -0.9325000     -0.9037000      -1.710600    
 H   0.2682000     -0.3136000     -0.5650000    
 H   -3.674800     -0.2041000       2.044600    
 H   -4.865200      -1.251000       1.317100    
 H    4.523800      -1.114500       1.292900    
 H    1.944900      -1.387100       2.126200    
 H   -3.378900       2.118700       1.210800    
 H   -6.324000     -0.5334000     -0.4848000    
 H    3.293900       1.248800       1.923100    
 H    4.897500     -0.6129000      -2.485200    
 H   -4.495300       4.038100      0.1327000    
 H   -7.438200       1.397900      -1.550300    
 H    5.497300       1.666200      -1.744300    
 H   -6.527200       3.685200      -1.246100    
 H    4.303100       3.673400      -1.695000    
 H    4.438600       4.979200     -0.5719000    
 H    4.477100       4.566100       1.530100    


%chk=000001279-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001279

0 1
O 0.915478 -3.172415 1.453604
N -0.621557 -2.176393 0.017838
N 1.718575 -0.345034 -0.847374
N 6.208663 3.979949 0.175972
N 7.248898 2.088604 1.282820
C -3.431368 -1.338476 0.312671
C -2.813720 -2.478760 1.161876
C -2.318008 -0.360993 -0.139554
C -1.644347 -3.169593 0.425237
C -1.159566 -1.100924 -0.850243
C -4.576789 -0.620472 1.085600
C 0.637980 -2.261698 0.595057
C -5.341965 0.389424 0.241614
C 1.738360 -1.300141 0.232660
C 3.852314 -0.331872 0.203719
C 2.939471 -1.289193 0.924986
C 2.912871 0.261217 -0.835348
C -5.140257 1.784995 0.396219
C -6.263075 -0.050432 -0.746144
C 4.866845 0.620612 0.760362
C 3.346111 1.390270 -1.614319
C -5.833315 2.715824 -0.411898
C -6.957919 0.874074 -1.556914
C 5.193785 1.748756 0.036781
C 4.462873 2.094338 -1.188826
C -6.744526 2.263330 -1.393407
C 6.300063 2.631803 0.546235
H -3.872293 -1.794793 -0.601730
H -3.585647 -3.235959 1.404803
H -2.441250 -2.070512 2.122674
H -1.916071 0.175188 0.744627
H -2.732218 0.401720 -0.825703
H -1.151083 -3.916517 1.066653
H -2.020917 -3.672688 -0.489683
H -1.546280 -1.573676 -1.778289
H -0.344847 -0.418800 -1.130389
H -4.142092 -0.121060 1.974200
H -5.273287 -1.396328 1.463692
H 4.487345 -1.052588 -0.393359
H 3.196929 -1.953623 1.748427
H -4.436697 2.143658 1.157983
H -6.441106 -1.126063 -0.874068
H 5.432794 0.381344 1.666583
H 2.754683 1.715325 -2.475714
H -5.664597 3.790145 -0.274453
H -7.667822 0.514453 -2.310808
H 4.811724 2.947163 -1.783323
H -7.284780 2.982365 -2.019514
H 5.357330 4.362546 -0.230535
H 6.932213 4.636244 0.462805
H 7.943994 2.776861 1.639397


