%chk=000023025.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023025

0 1
 O    5.136700      0.5913000      3.9200000E-02
 O   -3.589300      -1.997600     -0.5139000    
 O   -1.745800      -3.220200     -0.9637000    
 N    2.958400      -1.214200     -0.2720000    
 C   -1.459800      -1.122300      0.3022000    
 C   3.7700001E-02  -1.617200      0.2809000    
 C   -1.998500      -1.047300       1.793700    
 C   0.6823000      -1.739700      -1.113900    
 C   -1.616700      0.2558000     -0.3926000    
 C    2.156000      -2.154600      -1.051400    
 C   -2.247300      -2.218300     -0.4667000    
 C   -1.839700      -2.349800       2.595000    
 C   -3.462700     -0.5885000       1.923900    
 C  -0.9957000       1.367800      0.1300000    
 C    4.341100      -1.693600     -0.1385000    
 C    2.945200      0.1194000     -0.8890000    
 C   -2.395500      0.2578000      -1.521500    
 C   -1.178000       2.595200     -0.5506000    
 C    5.161100     -0.6906000      0.6679000    
 C    3.798900       1.079900     -6.5800004E-02
 C   -2.574400       1.464800      -2.191100    
 C  -0.2033000       1.336400       1.289100    
 C   -1.970200       2.626700      -1.709900    
 C  -0.5624000       3.754900     -5.2200001E-02
 C   0.4006000       2.498400       1.770200    
 C   0.2213000       3.705500       1.100900    
 H   0.6890000      -1.027900      0.9201000    
 H   8.1000000E-02  -2.624100      0.7191000    
 H   -1.464900     -0.3282000       2.403900    
 H   0.1887000      -2.495800      -1.727900    
 H   0.5674000     -0.8090000      -1.677400    
 H    2.208700      -3.149800     -0.5915000    
 H    2.545800      -2.255100      -2.072900    
 H  -0.7858000      -2.602800       2.742500    
 H   -2.281900      -2.249100       3.593000    
 H   -2.333400      -3.192100       2.100400    
 H   -3.688200      0.2858000       1.307900    
 H   -3.666400     -0.2982000       2.962500    
 H   -4.175000      -1.384400       1.689700    
 H    4.360700      -2.661800      0.3746000    
 H    4.796000      -1.823800      -1.129200    
 H    3.336300      7.0400000E-02  -1.913600    
 H    1.940800      0.5479000     -0.9270000    
 H   -2.830300     -0.5934000      -2.023000    
 H    4.792000     -0.6007000       1.697000    
 H    6.204800      -1.016900      0.7178000    
 H    3.839400       2.057700     -0.5565000    
 H    3.385000       1.230100      0.9388000    
 H   -3.168100       1.501200      -3.100200    
 H   6.9100000E-02  0.4697000       1.863700    
 H   -2.120100       3.558200      -2.251800    
 H   -4.060600      -2.716300     -0.9866000    
 H  -0.6879000       4.709000     -0.5599000    
 H    1.023900       2.460200       2.659100    
 H   0.6951000       4.608800       1.473800    


%chk=000023025-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023025

0 1
O 5.146267 0.721663 0.230738
O -3.722504 -2.062542 -0.312458
O -1.941425 -3.430134 -0.803787
N 2.938348 -1.083800 -0.362545
C -1.474027 -1.253844 0.334002
C 0.021567 -1.725085 0.224254
C -1.917548 -1.280837 1.880522
C 0.632055 -1.733482 -1.193504
C -1.634676 0.133157 -0.358672
C 2.142805 -2.053408 -1.160894
C -2.342112 -2.337885 -0.342187
C -2.149444 -2.720301 2.413954
C -3.134650 -0.387940 2.209218
C -0.981394 1.343028 0.129814
C 4.299564 -1.594926 -0.058381
C 3.031437 0.257310 -0.996974
C -2.348962 0.221957 -1.564689
C -1.127509 2.580815 -0.627069
C 5.042871 -0.607200 0.855284
C 3.796855 1.224732 -0.080284
C -2.482910 1.434261 -2.303682
C -0.180156 1.417426 1.324100
C -1.887377 2.601896 -1.840302
C -0.505494 3.788980 -0.164518
C 0.417207 2.606162 1.748739
C 0.254849 3.812660 1.003039
H 0.652296 -1.075385 0.854263
H 0.096580 -2.747527 0.640086
H -1.046704 -0.892150 2.440429
H 0.134711 -2.502339 -1.812668
H 0.463076 -0.762253 -1.694903
H 2.288117 -3.052350 -0.703493
H 2.524232 -2.120137 -2.212529
H -1.323813 -3.406488 2.155830
H -2.228740 -2.690449 3.515965
H -3.091299 -3.151766 2.029136
H -2.942871 0.672372 1.973945
H -3.365285 -0.460039 3.288924
H -4.023951 -0.710733 1.642606
H 4.210162 -2.572959 0.452307
H 4.900754 -1.747549 -0.991340
H 3.550087 0.198697 -1.988343
H 2.016176 0.658204 -1.165864
H -2.843739 -0.663452 -1.969127
H 4.504994 -0.524056 1.824979
H 6.081785 -0.931738 1.033286
H 3.952277 2.198747 -0.572885
H 3.224516 1.371322 0.860911
H -3.060064 1.432421 -3.234545
H -0.019614 0.526674 1.930323
H -1.984298 3.544415 -2.391799
H -4.200872 -2.848035 -0.697768
H -0.642424 4.701619 -0.757168
H 1.016342 2.611479 2.666149
H 0.725028 4.740392 1.346176


