%chk=000049827.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049827

0 1
 O   0.4246000     -0.8111000       1.786300    
 N    2.435800     -0.8908000     -9.2699997E-02
 N    5.068400      0.2808000     -0.3270000    
 C   -1.467600       1.176000      6.7299999E-02
 C   -2.326100      -1.021900      8.3899997E-02
 C   -1.238300     -0.1788000      0.2519000    
 C   -2.736600       1.669000     -0.2967000    
 C   -3.595200     -0.5289000     -0.2801000    
 C  -0.4719000       2.291100      0.1505000    
 C   -2.349400      -2.515400      0.1873000    
 C   -2.691600       3.153500     -0.4872000    
 C   -4.569200      -1.653100     -0.4505000    
 C   -1.397300       3.512000      0.2574000    
 C   -3.856900      -2.784100      0.3058000    
 C   -3.818800      0.8235000     -0.4879000    
 C   7.9099998E-02 -0.6908000      0.5921000    
 C    1.054400      -1.087700     -0.5276000    
 C    2.678100      0.5149000      0.2539000    
 C    3.376700      -1.332100      -1.129500    
 C    4.126700      0.7222000      0.7090000    
 C    4.825700      -1.124500     -0.6756000    
 C    6.449500      0.4762000      0.1095000    
 H   0.1712000       2.221300       1.031000    
 H   0.1309000       2.330700     -0.7622000    
 H   -1.939200      -2.962700     -0.7240000    
 H   -1.813200      -2.889100       1.064000    
 H   -2.614800       3.393900      -1.552600    
 H   -3.556800       3.658700     -4.8999999E-02
 H   -5.545500      -1.432100     -1.0300000E-02
 H   -4.681100      -1.896300      -1.512100    
 H  -0.9317000       4.423700     -0.1297000    
 H   -1.631300       3.693600       1.315800    
 H   -4.146000      -2.744500       1.365400    
 H   -4.134900      -3.775100     -6.6500001E-02
 H   -4.788600       1.200100     -0.7898000    
 H   0.8286000     -0.5025000      -1.427400    
 H   0.8682000      -2.145900     -0.7454000    
 H    2.048600      0.8488000       1.082700    
 H    2.466800       1.169800     -0.6024000    
 H    3.204000     -0.7927000      -2.070800    
 H    3.229100      -2.399700      -1.333500    
 H    4.275000       1.789900      0.9120000    
 H    4.298900      0.1833000       1.650800    
 H    5.490000      -1.422900      -1.495700    
 H    5.042900      -1.782600      0.1768000    
 H    7.147700      0.1878000     -0.6840000    
 H    6.687600     -0.1063000       1.006800    
 H    6.638400       1.533700      0.3250000    


%chk=000049827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049827

0 1
O 0.419882 -0.932007 1.481548
N 2.553136 -0.162601 -0.207505
N 5.436740 -0.308340 0.057591
C -1.786491 1.348343 -0.352695
C -2.264028 -0.959411 0.288764
C -1.312578 0.096748 0.145063
C -3.148541 1.511941 -0.724891
C -3.614747 -0.784574 -0.112177
C -1.049119 2.677050 -0.546517
C -2.051937 -2.387606 0.787220
C -3.411213 2.927859 -1.220251
C -4.404365 -2.073282 0.074831
C -2.198289 3.724544 -0.658428
C -3.501845 -2.904832 1.035434
C -4.066802 0.447144 -0.627797
C 0.125831 -0.170057 0.516997
C 1.230260 0.456186 -0.362260
C 3.223811 0.188366 1.071908
C 3.447607 0.122403 -1.358135
C 4.543836 -0.583392 1.210740
C 4.761338 -0.663026 -1.212553
C 6.749976 -0.965041 0.196111
H -0.354554 2.916754 0.278619
H -0.449508 2.659944 -1.479612
H -1.543256 -2.989342 0.005354
H -1.415686 -2.431816 1.683104
H -3.419049 2.953559 -2.329519
H -4.382409 3.331330 -0.881489
H -5.419598 -1.903882 0.477546
H -4.525745 -2.590798 -0.899206
H -1.922371 4.590395 -1.285219
H -2.445759 4.103257 0.350724
H -3.788281 -2.691697 2.082246
H -3.597467 -3.993064 0.876764
H -5.112389 0.579809 -0.931003
H 1.253125 1.557145 -0.150096
H 0.906658 0.358206 -1.416944
H 2.551246 -0.081565 1.901051
H 3.440520 1.286927 1.117834
H 3.691407 1.212891 -1.434657
H 2.939704 -0.185955 -2.291671
H 5.057111 -0.266994 2.138304
H 4.311047 -1.674920 1.297503
H 5.434371 -0.413472 -2.054809
H 4.529316 -1.757958 -1.264505
H 7.398374 -0.685675 -0.654257
H 6.685941 -2.082974 0.229920
H 7.239686 -0.623619 1.126020


