%chk=000057733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057733

0 1
 O  -0.5032000      -1.643800      0.8878000    
 O   -1.176200       2.332500      0.1824000    
 O  -0.2973000      0.9349000       1.786600    
 N    2.748100     -0.6416000      0.2092000    
 N   -5.299200      5.7799999E-02  -1.359000    
 C    3.350000      0.6054000      0.7017000    
 C    3.665200      -1.354900     -0.6908000    
 C    3.717400       1.535400     -0.4555000    
 C    4.042700     -0.4889000      -1.893800    
 C    4.639300      0.8427000      -1.452600    
 C    2.359700      -1.499200       1.328600    
 C    1.627300      -2.736100      0.8186000    
 C   0.3772000      -2.361500      3.4100000E-02
 C   -1.680900      -1.209200      0.3376000    
 C   -1.988100      0.1468000      0.3017000    
 C   -2.564200      -2.148400     -0.1848000    
 C   -3.192000      0.5686000     -0.2625000    
 C   -3.768000      -1.726700     -0.7492000    
 C   -4.081900     -0.3682000     -0.7881000    
 C   -1.072600       1.140800      0.8450000    
 C  -0.3226000       3.393200      0.6253000    
 C  -0.5808000       4.620400     -0.2225000    
 H    4.244200      0.3963000       1.303800    
 H    2.638200       1.132600       1.348400    
 H    3.209600      -2.252800      -1.116700    
 H    4.574700      -1.665500     -0.1599000    
 H    2.803500       1.861600     -0.9682000    
 H    4.204100       2.436700     -6.6000000E-02
 H    4.761600      -1.023600      -2.525100    
 H    3.152200     -0.3044000      -2.508300    
 H    4.805400       1.487600      -2.322500    
 H    5.617600      0.6694000     -0.9875000    
 H    3.236700      -1.812300       1.910100    
 H    1.707900     -0.9501000       2.018400    
 H    1.318500      -3.311300       1.701900    
 H    2.266900      -3.410100      0.2418000    
 H  -9.6100003E-02  -3.291300     -0.3015000    
 H   0.6139000      -1.765100     -0.8546000    
 H   -2.347000      -3.211800     -0.1469000    
 H   -3.461100       1.622200     -0.2897000    
 H   -4.455100      -2.466600      -1.151800    
 H   -5.944700     -0.6214000      -1.739500    
 H   -5.528200       1.042400      -1.387500    
 H   0.7235000       3.084400      0.5235000    
 H  -0.5352000       3.616000       1.676600    
 H   -1.628800       4.928300     -0.1455000    
 H  -0.3894000       4.405700      -1.279100    
 H   5.6100000E-02   5.452600      8.9900002E-02


%chk=000057733-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057733

0 1
O -0.260485 -1.047931 0.919743
O -1.976406 2.779345 1.192081
O 0.077925 1.694679 1.297796
N 3.089896 -0.972549 -0.139583
N -4.798248 0.393897 -2.137885
C 3.310187 0.409914 -0.636721
C 4.282257 -1.824846 -0.359386
C 3.631422 0.405694 -2.145486
C 4.641141 -1.903692 -1.858413
C 4.857708 -0.488595 -2.443323
C 2.595002 -1.007703 1.259403
C 1.723083 -2.252378 1.545031
C 0.485749 -2.294056 0.645476
C -1.334864 -0.715375 0.097192
C -1.834235 0.624724 0.160244
C -1.984974 -1.648690 -0.749518
C -2.996406 0.968453 -0.577518
C -3.121185 -1.284026 -1.494424
C -3.657068 0.031719 -1.411056
C -1.123403 1.684001 0.930830
C -1.341592 3.928489 1.896979
C -2.427929 4.983734 2.085376
H 4.154365 0.908072 -0.087748
H 2.394847 0.995164 -0.436071
H 4.075637 -2.838436 0.032794
H 5.167713 -1.427054 0.208143
H 2.749620 0.019840 -2.693397
H 3.812627 1.443222 -2.487566
H 5.549377 -2.523957 -1.989724
H 3.811724 -2.402912 -2.396650
H 5.045326 -0.543615 -3.532849
H 5.760745 -0.036595 -1.981860
H 3.436429 -0.970391 1.996067
H 1.966462 -0.115117 1.424429
H 1.408346 -2.232714 2.606206
H 2.295781 -3.188308 1.389390
H -0.149858 -3.174636 0.874443
H 0.791043 -2.305178 -0.419256
H -1.610590 -2.673620 -0.821661
H -3.367343 1.994751 -0.499718
H -3.601380 -2.027227 -2.143021
H -5.271229 -0.277885 -2.733625
H -5.178318 1.332746 -2.072983
H -0.496745 4.295525 1.285400
H -0.932383 3.567613 2.858088
H -3.265660 4.582744 2.681330
H -2.823454 5.322292 1.112021
H -2.011755 5.860370 2.614882


