%chk=000004819.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004819

0 1
 O    2.793900       1.392800     -0.1681000    
 O    3.510300     -0.3718000      -1.442100    
 N   -2.619100      0.5812000      0.2672000    
 N   -3.181800      -1.225400     -0.8954000    
 C   0.7112000      0.5595000      0.5147000    
 C    1.532100     -0.5951000     -4.9100000E-02
 C  -0.2954000       1.079200     -0.5157000    
 C    1.770800       1.602300      0.8113000    
 C    2.008800      -1.565700       1.022400    
 C    2.715200      0.1173000     -0.6539000    
 C   -1.567400      0.2710000     -0.5167000    
 C   0.8518000      -2.333300       1.639900    
 C   -1.909600     -0.8297000      -1.224700    
 C   -3.580400     -0.3551000      5.7000001E-03
 C   -2.740500       1.672800       1.204300    
 H   0.1775000      0.3176000       1.438600    
 H    1.002000      -1.131000     -0.8430000    
 H   0.1331000       1.072700      -1.526600    
 H  -0.5426000       2.128300     -0.3111000    
 H    1.405700       2.631300      0.7424000    
 H    2.217600       1.461800       1.801700    
 H    2.567300      -1.047100       1.811000    
 H    2.708700      -2.283400      0.5761000    
 H   0.1943000      -1.690000       2.230200    
 H   0.2513000      -2.829000      0.8704000    
 H    1.237000      -3.107000       2.312600    
 H   -1.327700      -1.370900      -1.956200    
 H   -4.544600     -0.3549000      0.4957000    
 H   -3.680600       1.576600       1.753800    
 H   -1.903200       1.632000       1.904900    
 H   -2.734900       2.611300      0.6446000    


%chk=000004819-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004819

0 1
O 2.996050 1.213875 -0.504264
O 3.436775 -0.874856 -1.420041
N -2.514976 0.332483 0.303076
N -3.068323 -1.144919 -1.331657
C 0.800370 0.810518 0.461493
C 1.427917 -0.546594 0.043212
C -0.288762 1.305910 -0.543279
C 2.020825 1.770349 0.476026
C 1.774170 -1.508101 1.217529
C 2.705982 -0.158361 -0.719714
C -1.485937 0.405841 -0.661378
C 0.518024 -2.119115 1.873009
C -1.857668 -0.512109 -1.652883
C -3.435582 -0.613941 -0.150587
C -2.614119 1.098044 1.549873
H 0.359343 0.747443 1.472660
H 0.764574 -1.093584 -0.652745
H 0.170089 1.400540 -1.545700
H -0.597515 2.329732 -0.246920
H 1.782166 2.792686 0.139429
H 2.520159 1.810993 1.460733
H 2.378061 -0.971305 1.976915
H 2.414102 -2.317480 0.818266
H -0.138673 -1.342221 2.308626
H -0.078862 -2.683401 1.133418
H 0.798307 -2.812345 2.686311
H -1.333655 -0.740548 -2.579203
H -4.338502 -0.865427 0.402334
H -3.654458 1.067049 1.912088
H -1.958205 0.683350 2.337389
H -2.340876 2.153793 1.380882


