%chk=000018492.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018492

0 1
 O   -3.758600      0.6115000      -1.107200    
 O   -1.602900     -0.8411000      -1.603600    
 N  -0.7732000     -0.6699000      0.5501000    
 N   0.3203000      -1.427200      0.2458000    
 C   -2.887500      0.4344000      7.6000001E-03
 C   -2.439900       1.821600      0.5207000    
 C   -3.695000     -0.2856000       1.111100    
 C   -1.695600     -0.4239000     -0.4489000    
 C   -1.698200       2.671000     -0.5071000    
 C   -4.282100      -1.625900      0.6760000    
 C    1.580400     -0.8225000      0.1729000    
 C    2.671800      -1.520900     -0.3582000    
 C    1.764700      0.4879000      0.6310000    
 C    4.102200      0.3872000      2.8700000E-02
 C    3.927900     -0.9184000     -0.4299000    
 C    3.020600       1.090500      0.5592000    
 C    5.445100       1.031300     -4.8300002E-02
 H   -3.325700       2.391600      0.8303000    
 H   -1.805500       1.715900       1.408700    
 H   -4.537200      0.3518000       1.410800    
 H   -3.081700     -0.4415000       2.006100    
 H   -2.335500       2.915100      -1.362100    
 H   -1.384700       3.615800     -5.0900001E-02
 H  -0.8008000       2.165500     -0.8754000    
 H   -4.861900      -2.062100       1.496100    
 H   -3.496600      -2.338900      0.4084000    
 H   -4.952300      -1.510800     -0.1812000    
 H   -3.251200       1.008100      -1.834700    
 H  -0.8620000     -0.3747000       1.516000    
 H   0.1704000      -2.364100     -0.1051000    
 H    2.550200      -2.539100     -0.7198000    
 H   0.9511000       1.069500       1.056200    
 H    4.762400      -1.475900     -0.8470000    
 H    3.144100       2.108600      0.9190000    
 H    5.558100       1.551000      -1.005000    
 H    5.583700       1.754500      0.7626000    
 H    6.245400      0.2891000      4.4700000E-02


%chk=000018492-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018492

0 1
O -3.748342 0.718949 -1.142268
O -1.486858 -0.588357 -1.600476
N -0.829668 -0.717254 0.623604
N 0.318661 -1.483483 0.350851
C -2.938103 0.511153 0.059107
C -2.500519 1.899701 0.617875
C -3.809680 -0.258227 1.092863
C -1.690633 -0.306897 -0.377587
C -1.673401 2.736803 -0.377717
C -4.245331 -1.660061 0.624126
C 1.574435 -0.817790 0.201903
C 2.661866 -1.543528 -0.352706
C 1.787344 0.507084 0.653005
C 4.165504 0.384652 -0.012003
C 3.931113 -0.944132 -0.457242
C 3.070083 1.089451 0.543394
C 5.537148 1.024459 -0.145889
H -3.431085 2.441819 0.872783
H -1.940681 1.757663 1.565355
H -4.706432 0.366866 1.264232
H -3.277808 -0.316349 2.065798
H -2.239352 2.874949 -1.314787
H -1.452818 3.734772 0.041701
H -0.710632 2.253279 -0.626784
H -4.924728 -2.125166 1.360601
H -3.381712 -2.337973 0.488411
H -4.777628 -1.583946 -0.339146
H -3.218049 0.358183 -1.911383
H -1.073428 -0.603919 1.609182
H 0.130682 -2.233644 -0.322949
H 2.511063 -2.573661 -0.698883
H 0.958602 1.084054 1.075984
H 4.757099 -1.519396 -0.893809
H 3.216448 2.118230 0.894710
H 5.785893 1.229030 -1.205208
H 5.588603 1.983964 0.397479
H 6.332643 0.368120 0.253473


