%chk=000036053.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036053

0 1
 O   -2.414100      -1.433800     -0.1153000    
 O  -0.3929000      -1.312400      -1.383600    
 O    7.963100     -0.1245000      4.1800000E-02
 O    6.323100      0.7727000       1.359100    
 N   -3.872000       1.719900     -0.1604000    
 N   -4.022800      0.3217000     -8.2800001E-02
 N  -0.4419000      0.6858000     -0.1906000    
 N    5.821900     -0.4485000     -0.5794000    
 C   -2.503100       1.991500     -0.1561000    
 C   -1.781300      0.8641000     -0.1668000    
 C   -2.751200     -0.2616000     -0.1489000    
 C   -5.221900     -0.3111000      0.3295000    
 C   -4.780500       2.468900      -1.022800    
 C   -1.992900       3.392800     -0.1896000    
 C   -6.236200      0.4323000      0.9410000    
 C   -5.399500      -1.683600      0.1289000    
 C   0.1873000     -0.3994000     -0.8012000    
 C    1.672200     -0.4121000     -0.7436000    
 C   -7.416200     -0.1905000       1.347800    
 C   -6.579600      -2.306400      0.5355000    
 C   -7.587800      -1.559900       1.145000    
 C    2.371400      -1.068600      -1.734600    
 C    2.302800      0.2325000      0.2999000    
 C    4.427800     -0.4366000     -0.6348000    
 C    3.765200      -1.081000      -1.679500    
 C    3.696600      0.2202000      0.3548000    
 C    6.658600      0.1302000      0.3716000    
 C    8.952100      0.4096000      0.9295000    
 C    9.252000     -0.6119000       2.005700    
 H   -4.407400       2.476500      -2.053600    
 H   -4.857300       3.505300     -0.6773000    
 H   -5.792900       2.059300      -1.054700    
 H   -2.276400       3.885800      -1.124900    
 H   -2.409500       3.967000      0.6445000    
 H  -0.9029000       3.440700     -0.1089000    
 H   0.1221000       1.497300      4.4700000E-02
 H   -6.127400       1.492100       1.152300    
 H   -4.651300      -2.293700     -0.3667000    
 H   -8.198200      0.3887000       1.830200    
 H   -6.716200      -3.371500      0.3724000    
 H   -8.506400      -2.044800       1.462300    
 H    1.871100      -1.570400      -2.557400    
 H    1.765300      0.7278000       1.102300    
 H    4.322600      -1.595600      -2.458100    
 H    4.139500      0.7342000       1.196700    
 H    6.291300     -0.9455000      -1.332700    
 H    8.643600       1.370400       1.356700    
 H    9.852300      0.5959000      0.3347000    
 H    10.04680     -0.2565000       2.667600    
 H    8.362400     -0.8196000       2.609200    
 H    9.563300      -1.562600       1.560300    


%chk=000036053-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036053

0 1
O -2.099221 -0.740630 1.248717
O 0.205156 2.408320 -2.034275
O 7.970603 -0.003466 1.091901
O 6.052343 -1.287098 1.584505
N -4.155281 1.011655 -1.072488
N -3.996678 0.082726 0.008436
N -0.522668 0.803361 -0.495376
N 5.984174 0.707920 0.298609
C -2.849945 1.386374 -1.509587
C -1.917173 0.783863 -0.672294
C -2.618721 -0.062832 0.303303
C -5.087179 -0.224877 0.878605
C -5.180423 0.635443 -2.079438
C -2.726068 2.267602 -2.718079
C -6.171260 0.678471 1.025991
C -5.059894 -1.438177 1.611939
C 0.463551 1.535114 -1.140995
C 1.875240 1.248687 -0.712634
C -7.238808 0.350344 1.888209
C -6.126463 -1.741985 2.483757
C -7.224055 -0.859744 2.619611
C 2.877670 2.153090 -1.151433
C 2.273073 0.134083 0.073285
C 4.608885 0.845700 -0.012214
C 4.223454 1.960664 -0.807236
C 3.619788 -0.075185 0.426147
C 6.595252 -0.294468 1.039972
C 8.814786 -1.005568 1.805231
C 9.223912 -2.143302 0.866159
H -4.890437 -0.275362 -2.640139
H -5.300322 1.475202 -2.780034
H -6.143014 0.457878 -1.576841
H -2.951524 1.715232 -3.651448
H -3.420864 3.125275 -2.654311
H -1.690879 2.636481 -2.780012
H -0.253750 0.197515 0.292683
H -6.153574 1.637649 0.498221
H -4.204949 -2.110628 1.510181
H -8.073962 1.050525 2.000818
H -6.100133 -2.676299 3.054987
H -8.051782 -1.107877 3.292446
H 2.567395 3.000502 -1.770625
H 1.545408 -0.614777 0.408407
H 4.982682 2.673073 -1.153618
H 3.914533 -0.937775 1.026668
H 6.621473 1.424613 -0.056444
H 8.248205 -1.386027 2.673224
H 9.680815 -0.416275 2.146650
H 9.914030 -2.829669 1.391245
H 8.341142 -2.722364 0.546770
H 9.740057 -1.751877 -0.027457


