%chk=000058816.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058816

0 1
 O   0.5414000     -0.5232000     -7.1199998E-02
 O   0.3272000     -0.8180000      -2.345500    
 O   -2.141300      0.1385000      -2.363100    
 N    3.870600     -0.3197000       1.215100    
 C    2.695500     -0.1220000      -1.095700    
 C    1.879600      -1.006500     -0.1329000    
 C    2.526300     -0.9567000       1.271700    
 C    2.896700       1.262700     -0.4534000    
 C    4.078900     -0.7722000      -1.237400    
 C    3.678500       1.107900      0.8625000    
 C    4.703500     -0.9385000      0.1577000    
 C    2.582000      -2.346700       1.912700    
 C  -0.1346000     -0.4782000      -1.262400    
 C   -1.554500      4.8799999E-02  -1.061800    
 C   -2.369400     -0.9440000     -0.2351000    
 C   -1.516500       1.415200     -0.5013000    
 C   -2.448700     -0.7617000       1.127700    
 C   -2.996400      -1.986000     -0.8819000    
 C   -3.193100      -1.668100       1.882800    
 C   -3.740700      -2.892200     -0.1268000    
 C   -1.482700       2.529200     -5.2400000E-02
 C   -3.839000      -2.733200       1.255600    
 C   -1.446500       3.846300      0.4945000    
 C   -1.971700       4.068900       1.882000    
 C  -0.9453000       4.849400     -0.2415000    
 H    2.283300      2.2500001E-02  -2.092600    
 H    1.855100      -2.039100     -0.5067000    
 H    1.895200     -0.3564000       1.942700    
 H    1.929600       1.742900     -0.2652000    
 H    3.453400       1.916500      -1.135600    
 H    4.726400     -0.1477000      -1.864800    
 H    3.992500      -1.748500      -1.728700    
 H    3.151000       1.625600       1.673400    
 H    4.653100       1.606100      0.7841000    
 H    5.703400     -0.4860000      0.1688000    
 H    4.872900      -1.999700      0.3720000    
 H    3.058700      -2.302200       2.898000    
 H    1.568400      -2.738900       2.052300    
 H    3.132000      -3.068200       1.300600    
 H   -1.795900     -0.5797000      -2.920200    
 H   -1.941600      4.3499999E-02   1.648700    
 H   -2.926700      -2.146500      -1.952200    
 H   -3.265500      -1.547600       2.959800    
 H   -4.240700      -3.724200     -0.6141000    
 H   -4.416900      -3.440100       1.843700    
 H   -1.411900       3.464200       2.603500    
 H   -1.890000       5.116400       2.191400    
 H   -3.028200       3.786000       1.940300    
 H  -0.9024000       5.863100      0.1437000    
 H  -0.5646000       4.687400      -1.245500    


%chk=000058816-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058816

0 1
O 0.513478 -0.571147 -0.262133
O -0.025037 -0.712381 -2.529280
O -2.595888 -0.065635 -2.131539
N 3.757760 -0.839580 1.210328
C 2.778710 0.268139 -0.932585
C 1.948044 -0.968439 -0.524976
C 2.500721 -1.558209 0.814755
C 2.803525 1.297457 0.229166
C 4.222834 -0.239528 -1.210092
C 3.425629 0.594406 1.491633
C 4.775993 -0.887469 0.113637
C 2.685478 -3.083494 0.760835
C -0.326281 -0.470903 -1.333125
C -1.764022 0.022279 -0.926500
C -2.364188 -0.903182 0.151823
C -1.629761 1.427886 -0.485288
C -2.198735 -0.625829 1.528808
C -3.052290 -2.071250 -0.252026
C -2.715892 -1.514457 2.497023
C -3.569112 -2.958359 0.718284
C -1.497722 2.618338 -0.176968
C -3.400459 -2.685150 2.095487
C -1.436733 4.011088 0.182830
C -2.776047 4.720840 0.335342
C -0.241748 4.647225 0.373073
H 2.352358 0.717557 -1.846315
H 1.932808 -1.706721 -1.348653
H 1.755842 -1.326584 1.600277
H 1.777127 1.651469 0.435765
H 3.404589 2.174231 -0.076746
H 4.848215 0.613770 -1.532171
H 4.216247 -0.969876 -2.041979
H 2.724713 0.619356 2.345197
H 4.356649 1.096604 1.810578
H 5.671967 -0.351210 0.473137
H 5.071654 -1.938026 -0.047770
H 3.072889 -3.452149 1.725603
H 1.715858 -3.573964 0.559497
H 3.389191 -3.391845 -0.034253
H -1.972488 -0.086932 -2.912369
H -1.672887 0.283278 1.839128
H -3.202683 -2.256315 -1.319437
H -2.588723 -1.292040 3.562510
H -4.108518 -3.857376 0.399474
H -3.803852 -3.372576 2.847668
H -3.389167 4.236140 1.117331
H -2.633750 5.781110 0.604387
H -3.354047 4.668857 -0.605557
H -0.204566 5.707206 0.647388
H 0.712716 4.122789 0.256099


