%chk=000002461.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002461

0 1
 O   5.8300000E-02  -1.327800     -0.7550000    
 O    1.343000       2.783800      0.9976000    
 O   -3.053800       2.031200     -3.6899999E-02
 N   0.8032000      0.7563000     -2.6600000E-02
 N  -0.8352000       2.402500      0.4211000    
 C    2.147100      0.2685000      0.1691000    
 C    2.159300     -0.9078000       1.148900    
 C    2.778400     -0.1164000      -1.171100    
 C    3.565100      -1.474700       1.329000    
 C    4.182900     -0.6860000     -0.9885000    
 C    4.193400      -1.855800     -8.3999997E-03
 C   -1.425400      0.5461000      -1.025300    
 C  -0.1392000     -0.1250000     -0.5792000    
 C   -2.549700     -0.4733000      -1.203000    
 C   0.5076000       2.036300      0.4820000    
 C   -1.876500       1.698800     -0.1595000    
 C   -3.021900      -1.015100      0.1428000    
 C   -4.167900      -2.010400     -3.7400000E-02
 C   -4.668800      -2.531300       1.300300    
 H    2.774500       1.056900      0.6028000    
 H    1.519200      -1.739600      0.8478000    
 H    1.778800     -0.5760000       2.123500    
 H    2.828600      0.7654000      -1.822200    
 H    2.184200     -0.8586000      -1.714300    
 H    3.529400      -2.352400       1.984300    
 H    4.196900     -0.7303000       1.829300    
 H    4.851100      0.1028000     -0.6213000    
 H    4.578300      -1.012100      -1.957100    
 H    5.223400      -2.194100      0.1510000    
 H    3.642800      -2.699500     -0.4424000    
 H   -1.203300      0.9777000      -2.011600    
 H   -2.224100      -1.300100      -1.846100    
 H   -3.395500      2.2000000E-03  -1.716400    
 H   -2.196800      -1.516600      0.6621000    
 H   -3.367900     -0.2163000      0.8055000    
 H   -1.085600       3.262700      0.9008000    
 H   -3.834700      -2.855300     -0.6513000    
 H   -4.999000      -1.530800     -0.5675000    
 H   -5.043700      -1.714100       1.924900    
 H   -3.869700      -3.042800       1.846300    
 H   -5.485600      -3.243600       1.147600    


%chk=000002461-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002461

0 1
O 0.275480 -0.942647 -1.937076
O 0.812583 2.300728 1.412131
O -2.968675 2.568396 -1.242011
N 0.569249 0.614458 -0.219437
N -1.060372 2.364042 0.055085
C 1.894449 0.020340 0.197853
C 1.746341 -1.436994 0.698296
C 2.966748 0.154807 -0.911007
C 3.114324 -1.948694 1.214551
C 4.326374 -0.369292 -0.385072
C 4.209720 -1.824955 0.128098
C -1.558667 0.596553 -1.599325
C -0.169490 0.037108 -1.279789
C -2.653297 -0.487546 -1.294097
C 0.151842 1.778744 0.476426
C -1.935011 1.915556 -0.944133
C -2.773347 -0.873405 0.196000
C -3.870387 -1.937824 0.429079
C -4.004625 -2.341872 1.912739
H 2.208890 0.645738 1.053450
H 1.394582 -2.082663 -0.125490
H 0.992730 -1.476596 1.508850
H 3.057142 1.215999 -1.213255
H 2.659400 -0.425884 -1.798564
H 3.014822 -3.001370 1.541425
H 3.416971 -1.362805 2.107133
H 4.680710 0.282307 0.440409
H 5.082647 -0.305102 -1.190443
H 5.183318 -2.165196 0.530368
H 3.959484 -2.492871 -0.721354
H -1.583698 0.760722 -2.693587
H -2.403740 -1.379249 -1.898271
H -3.617222 -0.086171 -1.658461
H -1.804750 -1.267727 0.566993
H -3.008460 0.023948 0.804443
H -1.308879 3.230609 0.544291
H -3.642629 -2.834615 -0.181981
H -4.840139 -1.546204 0.060794
H -4.258941 -1.467649 2.541181
H -3.057965 -2.767212 2.296065
H -4.796312 -3.100113 2.053293


