%chk=000110993.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110993

0 1
 O    1.609700     -0.6624000      -1.502600    
 N   0.2890000      -1.069900      0.3993000    
 N    2.585800      -3.172200      0.1430000    
 N    4.821600       1.114200     -0.6494000    
 N    4.008800       2.410200      0.9606000    
 C    2.631500      -1.732300      0.4031000    
 C    3.975300      -1.156100     -7.3100001E-02
 C    4.108900      0.3209000      0.1760000    
 C    1.467000      -1.101500     -0.3644000    
 C  -0.9632000     -0.5734000      3.5500001E-02
 C   -3.285300     -0.1123000      0.5956000    
 C   -3.484000      0.4246000     -0.6987000    
 C   -2.018700     -0.6069000      0.9471000    
 C   -1.158700     -4.5600001E-02  -1.237400    
 C   -2.410200      0.4507000      -1.603400    
 C    3.614200       1.110400       1.156800    
 C   -4.358900     -0.1381000       1.500700    
 C   -4.750700      0.9192000      -1.050000    
 C    4.734700       2.377900     -0.1349000    
 C   -5.610600      0.3576000       1.134600    
 C   -5.806100      0.8850000     -0.1382000    
 H    2.510300      -1.562900       1.479000    
 H    4.796100      -1.662400      0.4522000    
 H    4.118100      -1.355900      -1.144000    
 H   0.3428000      -1.456400       1.339200    
 H   -1.857800      -1.021500       1.941200    
 H    2.683900      -3.351900     -0.8554000    
 H    1.678800      -3.545500      0.4198000    
 H  -0.3945000      9.7000003E-03  -1.999700    
 H   -2.541800      0.8578000      -2.604000    
 H    5.324000      0.8404000      -1.484000    
 H    2.997400      0.8391000       2.001100    
 H   -4.229200     -0.5459000       2.501100    
 H   -4.926400       1.336300      -2.039500    
 H    5.219100       3.223000     -0.6030000    
 H   -6.432700      0.3317000       1.844000    
 H   -6.780800       1.270800     -0.4225000    


%chk=000110993-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110993

0 1
O 1.692184 -0.801868 -1.595626
N 0.358769 -1.050872 0.328763
N 2.720981 -3.346154 0.019059
N 3.553957 1.179463 -0.457451
N 4.619835 2.304386 1.188699
C 2.677560 -1.913897 0.380106
C 4.054230 -1.272084 0.055984
C 4.153469 0.198582 0.351052
C 1.540878 -1.183508 -0.387412
C -0.905084 -0.532789 -0.085868
C -3.216037 0.062532 0.536222
C -3.473475 0.474360 -0.829431
C -1.921483 -0.437323 0.877125
C -1.155526 -0.125872 -1.441864
C -2.413665 0.363188 -1.787912
C 4.808117 0.921306 1.356749
C -4.271029 0.170661 1.503768
C -4.770633 0.976462 -1.174674
C 3.856139 2.422667 0.082303
C -5.525063 0.663797 1.137483
C -5.778921 1.070223 -0.212376
H 2.500963 -1.839393 1.471479
H 4.812031 -1.819621 0.640634
H 4.264697 -1.459741 -1.016020
H 0.405135 -1.340187 1.309871
H -1.731693 -0.744918 1.914671
H 2.932569 -3.503687 -0.972818
H 1.919597 -3.901263 0.335947
H -0.351204 -0.205255 -2.174653
H -2.603434 0.673538 -2.822256
H 2.964841 0.961529 -1.266450
H 5.407725 0.533672 2.178187
H -4.079102 -0.138376 2.538360
H -4.960255 1.287748 -2.208831
H 3.511320 3.360401 -0.346589
H -6.323365 0.743295 1.883517
H -6.767631 1.455398 -0.484047


