%chk=000021305.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021305

0 1
 O   -2.364000     -0.2218000      9.5100001E-02
 O   -1.237700       1.307700      -1.205100    
 N  -0.3510000      -2.990300      0.4238000    
 C    1.365600       1.591400     -0.2342000    
 C    2.414900     -0.6030000      0.4339000    
 C    1.977500       2.405400      0.8359000    
 C   0.5179000       2.541600      0.5149000    
 C    2.789400      -1.784000     -0.3751000    
 C    3.571700     -0.5080000     -0.4839000    
 C    1.167500      0.1285000      4.5499999E-02
 C  -5.1800001E-02 -0.4631000     -6.8499997E-02
 C   -1.255000      0.3285000     -0.4746000    
 C  -0.2147000      -1.859000      0.2036000    
 C   -3.603300      0.4275000     -0.2080000    
 C   -4.727300     -0.3015000      0.4968000    
 H    1.614400       1.831200      -1.261600    
 H    2.611100     -0.6369000       1.499300    
 H    2.634000       3.216500      0.5432000    
 H    2.235300       1.954900       1.786800    
 H  -0.1696000       2.204600       1.282000    
 H   0.2024000       3.449600      1.3600000E-02
 H    2.220600      -2.070500      -1.251600    
 H    3.259000      -2.618200      0.1332000    
 H    4.563700     -0.4884000     -4.7899999E-02
 H    3.490900      4.3499999E-02  -1.412800    
 H   -3.563600       1.467400      0.1352000    
 H   -3.770400      0.4076000      -1.290600    
 H   -5.691600      0.1692000      0.2863000    
 H   -4.767200      -1.348200      0.1777000    
 H   -4.564400     -0.3056000       1.579700    


%chk=000021305-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021305

0 1
O -2.600965 -0.368198 -0.098419
O -1.668646 1.723411 -0.485437
N -0.546724 -2.744300 0.811842
C 1.145451 1.897467 0.169656
C 2.219663 -0.378298 0.644860
C 2.465748 2.582464 -0.274367
C 2.048685 2.681747 1.179694
C 2.519009 -1.778394 0.096054
C 3.364354 -0.594966 -0.379282
C 0.992898 0.427900 0.304849
C -0.256942 -0.191597 0.209841
C -1.525537 0.515630 -0.156746
C -0.407863 -1.590577 0.525091
C -3.942342 0.197818 -0.441430
C -4.945582 -0.939594 -0.284837
H 0.234284 2.421524 -0.120595
H 2.571641 -0.200902 1.670338
H 2.347863 3.460434 -0.915677
H 3.318691 1.945726 -0.512981
H 2.613444 2.102949 1.915313
H 1.632436 3.619225 1.557911
H 1.824309 -2.216764 -0.623357
H 2.959597 -2.505571 0.783025
H 4.394922 -0.496500 -0.024573
H 3.200073 -0.253065 -1.405823
H -4.144914 1.043717 0.240367
H -3.898080 0.590214 -1.473652
H -5.961459 -0.576752 -0.526020
H -4.702507 -1.775302 -0.962528
H -4.947207 -1.322844 0.749483


