%chk=000002126.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002126

0 1
 O  -0.8421000      -1.640100     -0.7024000    
 O   -7.810500       1.041000      0.5066000    
 O   -7.797400      -1.136800     -0.1440000    
 N   -1.571300      0.4849000     -2.5900001E-02
 C    4.224600      -1.621600      0.2940000    
 C    4.906100       1.346900     -6.5000001E-03
 C    5.645400      -1.083500      1.3500000E-02
 C    5.858500      0.2978000      0.6091000    
 C    3.153700     -0.5551000      3.1599998E-02
 C    3.468200      0.8202000     -9.9399999E-02
 C    4.117200      -2.079500       1.765400    
 C    4.039700      -2.860300     -0.6149000    
 C    5.002900       2.604200      0.8904000    
 C    5.387300       1.724900      -1.425000    
 C    1.798200     -0.9467000     -4.6100002E-02
 C    2.419000       1.729400     -0.3624000    
 C   0.7805000     -2.5900001E-02 -0.2869000    
 C    1.092200       1.313200     -0.4536000    
 C  -0.6022000     -0.4689000     -0.3671000    
 C   -2.979600      0.3367000      1.2300000E-02
 C   -3.540700     -0.8847000     -0.3191000    
 C   -3.762900       1.417100      0.3802000    
 C   -4.927600      -1.029900     -0.2816000    
 C   -5.149700       1.271900      0.4179000    
 C   -5.732000      4.8200000E-02  8.6900003E-02
 C   -7.177700     -0.1031000      0.1272000    
 H    5.831600      -1.044200      -1.067200    
 H    6.397600      -1.771800      0.4203000    
 H    5.719400      0.2482000       1.696400    
 H    6.902900      0.5994000      0.4561000    
 H    3.159200      -2.574200       1.964500    
 H    4.909400      -2.794300       2.015900    
 H    4.191200      -1.238300       2.463400    
 H    4.872200      -3.563600     -0.4920000    
 H    3.124100      -3.416100     -0.3875000    
 H    3.998300      -2.573000      -1.672200    
 H    6.047900       2.905800       1.030200    
 H    4.481600       3.466600      0.4620000    
 H    4.573400       2.417400       1.881700    
 H    6.435900       2.043700      -1.414900    
 H    5.298000      0.8874000      -2.125400    
 H    4.800800       2.552000      -1.842100    
 H    1.535400      -1.992000      9.8999999E-02
 H    2.627000       2.785400     -0.5159000    
 H   0.3486000       2.067300     -0.6925000    
 H   -1.256600       1.401800      0.2790000    
 H   -2.987800      -1.764000     -0.6135000    
 H   -3.319300       2.374300      0.6394000    
 H   -5.363000      -1.991100     -0.5426000    
 H   -5.738100       2.137100      0.7103000    
 H   -8.784700      0.9283000      0.5311000    


%chk=000002126-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002126

0 1
O -0.851270 -1.747210 -0.419859
O -7.991067 1.112798 0.375494
O -7.965176 -1.134092 -0.213958
N -1.613264 0.424898 0.047357
C 4.268142 -1.639460 0.279163
C 4.986781 1.380652 -0.014878
C 5.692532 -1.091925 -0.023732
C 5.932780 0.300087 0.580417
C 3.207876 -0.535652 0.062076
C 3.536962 0.851540 -0.063466
C 4.190739 -2.129823 1.757658
C 4.014111 -2.851410 -0.662528
C 5.094924 2.650723 0.877435
C 5.436572 1.748733 -1.462527
C 1.843549 -0.913168 0.015673
C 2.481669 1.778343 -0.285485
C 0.797479 0.017287 -0.169406
C 1.133965 1.385912 -0.341001
C -0.606152 -0.521257 -0.202615
C -3.017889 0.249641 0.037065
C -3.649175 -0.989877 -0.270515
C -3.817928 1.386676 0.351539
C -5.052060 -1.068226 -0.261840
C -5.217547 1.295278 0.359372
C -5.851407 0.062499 0.050594
C -7.324077 -0.085051 0.044497
H 5.841523 -1.052964 -1.121203
H 6.437334 -1.811989 0.367763
H 5.790179 0.259521 1.678811
H 6.980745 0.615975 0.410334
H 3.178007 -2.499708 1.999349
H 4.906510 -2.957377 1.921623
H 4.428454 -1.319752 2.470477
H 4.845799 -3.575003 -0.566793
H 3.080067 -3.388283 -0.420666
H 3.958191 -2.529854 -1.718527
H 6.158234 2.935537 0.987298
H 4.565763 3.519076 0.445696
H 4.683451 2.464166 1.886215
H 6.463867 2.159637 -1.449423
H 5.423729 0.869857 -2.131130
H 4.767706 2.510563 -1.902777
H 1.553833 -1.964194 0.115543
H 2.723898 2.837418 -0.424252
H 0.371694 2.143933 -0.562061
H -1.293109 1.361012 0.305227
H -3.033143 -1.859485 -0.502069
H -3.334716 2.343017 0.589554
H -5.553020 -2.013187 -0.496607
H -5.831305 2.166985 0.601141
H -8.969962 0.939583 0.353645


