%chk=000003649.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003649

0 1
 O   0.5255000      -1.565400       2.362900    
 O   -2.760600       3.095600      0.4455000    
 N    2.883800     -0.8860000      0.8910000    
 N   -3.227000      -2.282600     -0.7467000    
 C    2.791100      0.1590000      -1.486400    
 C    2.923200       1.258600     -0.4076000    
 C    1.602800      -1.250000      0.2290000    
 C    1.492900     -0.6094000      -1.173200    
 C    3.043900      0.5845000      0.9771000    
 C    3.953700     -0.8403000      -1.364800    
 C    3.996000      -1.409200      6.2399998E-02
 C    4.083900       2.215400     -0.6731000    
 C   0.3859000     -0.9247000       1.098900    
 C  -0.9012000      -1.367600      0.4502000    
 C    4.157200       3.301500      0.3826000    
 C   -1.927700     -0.4675000      0.1615000    
 C   -1.025900      -2.710500      0.1482000    
 C   -3.093800     -0.9764000     -0.4479000    
 C   -1.822300      0.9018000      0.4590000    
 C   -2.203700      -3.114900     -0.4468000    
 C   -4.122600     -8.5000001E-02 -0.7398000    
 C   -2.866600       1.770700      0.1561000    
 C   -4.018100       1.276400     -0.4440000    
 C   -3.870500       3.926100      0.1062000    
 H    2.747400      0.5894000      -2.492500    
 H    1.995800       1.849300     -0.4185000    
 H    1.643600      -2.340400      0.1028000    
 H   0.6507000      8.6300001E-02  -1.254000    
 H    1.336300      -1.392000      -1.926100    
 H    4.017600      0.7787000       1.442700    
 H    2.315400       1.016100       1.672400    
 H    4.908400     -0.3640000      -1.611300    
 H    3.814400      -1.657500      -2.083300    
 H    3.956900      -2.505300      3.1300001E-02
 H    4.957300      -1.168400      0.5338000    
 H    3.953400       2.680900      -1.657300    
 H    5.042100       1.685600     -0.6952000    
 H   0.3956000      0.1353000       1.328300    
 H    3.202600       3.830000      0.4739000    
 H    4.432800       2.915800       1.367700    
 H    4.917700       4.038300      0.1026000    
 H    1.383500      -1.299400       2.735500    
 H  -0.2594000      -3.442300      0.3740000    
 H  -0.9551000       1.356300      0.9218000    
 H   -2.367500      -4.156000     -0.7052000    
 H   -5.034600     -0.4486000      -1.210200    
 H   -4.872400       1.889700     -0.7097000    
 H   -4.769300       3.644100      0.6650000    
 H   -4.043300       3.944200     -0.9753000    
 H   -3.614000       4.947300      0.4065000    


%chk=000003649-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003649

0 1
O 0.912060 -1.819016 2.225563
O -2.896552 2.975295 -0.118418
N 2.802455 -0.896319 0.644730
N -3.445702 -2.631171 -0.225345
C 2.708395 0.689512 -1.397869
C 3.199996 1.491121 -0.153888
C 1.429194 -0.956060 0.015974
C 1.286635 0.141389 -1.082361
C 3.144465 0.502728 1.070677
C 3.663223 -0.504168 -1.689670
C 3.800866 -1.353114 -0.375878
C 4.590798 2.144186 -0.344439
C 0.378846 -0.946191 1.179206
C -0.975231 -1.471523 0.719644
C 4.942228 3.153859 0.770947
C -2.048180 -0.611031 0.271227
C -1.193037 -2.853218 0.708817
C -3.265891 -1.253205 -0.201896
C -1.991293 0.816246 0.276681
C -2.429100 -3.387383 0.232263
C -4.347352 -0.441000 -0.663413
C -3.073195 1.582195 -0.177073
C -4.265833 0.951853 -0.660359
C -4.001734 3.826664 -0.565885
H 2.664892 1.360089 -2.276321
H 2.470704 2.311275 0.015338
H 1.366479 -1.961816 -0.443314
H 0.638991 0.972480 -0.745416
H 0.817951 -0.282396 -1.988907
H 4.124132 0.453989 1.581772
H 2.404870 0.824621 1.824265
H 4.649910 -0.142008 -2.030114
H 3.243564 -1.115506 -2.511054
H 3.634052 -2.427612 -0.569175
H 4.806133 -1.244738 0.070322
H 4.616760 2.663588 -1.324324
H 5.372971 1.358855 -0.386972
H 0.275987 0.086709 1.575537
H 4.208993 3.981908 0.799427
H 4.943420 2.675211 1.768321
H 5.943461 3.594560 0.612577
H 1.912845 -1.777578 2.061715
H -0.414585 -3.515491 1.097566
H -1.115045 1.350737 0.653886
H -2.591339 -4.471951 0.223406
H -5.244727 -0.959389 -1.014767
H -5.111397 1.546903 -1.017473
H -4.912456 3.661470 0.041685
H -4.232919 3.661298 -1.636153
H -3.643908 4.856644 -0.421064


