%chk=000034589.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034589

0 1
 O  -0.6579000      -2.385300      0.2336000    
 N   0.4615000     -0.3226000      0.2025000    
 N   -2.946300      -1.328700     -0.3450000    
 C   -4.300200     -0.7796000     -0.3396000    
 C    2.745400      0.7935000      -1.648300    
 C    1.370600       1.379700      -1.925800    
 C    1.792500     -0.8799000      0.1302000    
 C   0.3896000       1.093900      0.3629000    
 C    2.838300     -0.3568000     -0.6659000    
 C   0.8104000       1.954200     -0.6598000    
 C   -2.025100     -0.4664000      0.3580000    
 C  -0.6753000      -1.151600      0.2867000    
 C   -5.225900      -1.754900      -1.074400    
 C   -4.755100     -0.6173000       1.114600    
 C   -4.300200      0.5810000      -1.046700    
 C    2.078300      -2.000000      0.9451000    
 C  -0.1221000       1.635800       1.552600    
 C    4.114400     -0.9660000     -0.6035000    
 C   0.7133000       3.341500     -0.4839000    
 C    3.343200      -2.588400      0.9818000    
 C  -0.2152000       3.017400       1.718700    
 C    4.365300      -2.069200      0.2066000    
 C   0.2006000       3.869800      0.7000000    
 H    3.411900       1.591200      -1.291600    
 H    3.147300      0.4469000      -2.610100    
 H   0.6867000      0.6257000      -2.335200    
 H    1.456000       2.159600      -2.692400    
 H   -2.634200      -1.456400      -1.308200    
 H   -1.965100      0.5104000     -0.1201000    
 H   -2.249700     -0.3653000       1.423000    
 H   -4.915100      -1.893500      -2.116700    
 H   -6.258800      -1.388700      -1.084700    
 H   -5.230000      -2.740200     -0.5935000    
 H   -4.268000      0.2146000       1.634400    
 H   -4.593100      -1.533200       1.695600    
 H   -5.831000     -0.4048000       1.152300    
 H   -3.829900       1.377900     -0.4612000    
 H   -5.330500      0.9115000      -1.229300    
 H   -3.805700      0.5308000      -2.024100    
 H    1.325800      -2.411100       1.614900    
 H  -0.4376000      0.9876000       2.366500    
 H    4.930100     -0.5758000      -1.210500    
 H    1.039100       4.020000      -1.268300    
 H    3.526900      -3.441400       1.628200    
 H  -0.6096000       3.427500       2.643700    
 H    5.354300      -2.516100      0.2308000    
 H   0.1294000       4.945800      0.8285000    


%chk=000034589-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034589

0 1
O -0.583052 -2.246366 -0.363636
N 0.528490 -0.292183 0.288347
N -3.069055 -1.257494 0.039977
C -4.398972 -0.804065 -0.449584
C 2.636483 0.979187 -1.602968
C 1.227574 1.626274 -1.658798
C 1.847141 -0.879284 0.097078
C 0.465675 1.104183 0.683531
C 2.823066 -0.281024 -0.749734
C 0.780372 2.089635 -0.287289
C -1.974968 -0.294386 0.134408
C -0.630838 -1.038214 0.013613
C -5.344263 -2.025757 -0.343628
C -4.919880 0.333673 0.464849
C -4.360049 -0.312947 -1.931583
C 2.141331 -2.072222 0.804684
C 0.128752 1.463087 2.006601
C 4.096453 -0.909134 -0.825252
C 0.733714 3.451615 0.093908
C 3.403955 -2.683071 0.696479
C 0.079452 2.827084 2.371551
C 4.395009 -2.090952 -0.120959
C 0.378664 3.822160 1.411591
H 3.354096 1.746421 -1.246666
H 2.944211 0.730248 -2.637896
H 0.507548 0.894358 -2.072385
H 1.263790 2.481891 -2.357606
H -2.745271 -2.138360 -0.385607
H -1.976899 0.484013 -0.672512
H -2.014793 0.268252 1.086336
H -4.973689 -2.864754 -0.963942
H -6.360484 -1.767876 -0.693031
H -5.401550 -2.372056 0.703081
H -4.278863 1.232586 0.400017
H -4.937381 -0.005007 1.516050
H -5.943010 0.629487 0.169171
H -3.664287 0.538486 -2.057582
H -5.359317 0.024509 -2.265008
H -4.029618 -1.129638 -2.600347
H 1.361664 -2.518321 1.427902
H -0.080213 0.676858 2.740320
H 4.862545 -0.456217 -1.467709
H 0.976538 4.224075 -0.645547
H 3.613525 -3.606970 1.245840
H -0.182563 3.109522 3.396796
H 5.385947 -2.549091 -0.211560
H 0.342319 4.880885 1.691099


