%chk=000005307.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005307

0 1
 O  -4.1000001E-02  0.6144000       1.982200    
 O   -2.543000      -3.863900      0.9449000    
 O   -2.910900      -3.404000      -1.246600    
 N   -1.243000       2.765000     -0.1326000    
 N    2.200200     -0.1138000       1.817200    
 C   -2.241100      0.8178000     -0.5117000    
 C   -1.098800       1.497000     -0.5377000    
 C   -2.482000     -0.5923000     -0.8832000    
 C   -3.210800       1.739400     -4.5200001E-02
 C    1.206200      0.6234000     -0.1082000    
 C   0.2706000       1.111400     -0.9251000    
 C    2.572800      0.2245000     -0.4268000    
 C   -2.566200       2.935500      0.1809000    
 C   -2.323800      -1.594600      0.2778000    
 C    3.131100     -0.2149000      0.7772000    
 C   0.9812000      0.3960000       1.358700    
 C   -4.648800       1.478600      0.1634000    
 C    3.314000      0.2148000      -1.593200    
 C    4.430400     -0.6747000      0.8655000    
 C    4.632900     -0.2471000      -1.526400    
 C    5.185600     -0.6875000     -0.3090000    
 C   -2.615700      -3.025100     -0.1220000    
 H   -1.801800     -0.8821000      -1.695400    
 H   -3.489300     -0.6956000      -1.307700    
 H   0.4990000       1.245900      -1.980200    
 H  -0.5276000       3.477700     -6.3100003E-02
 H   -2.926800       3.891000      0.5360000    
 H   -1.298200      -1.558800      0.6604000    
 H   -3.007600      -1.323900       1.090700    
 H   -5.154600       2.345900      0.6008000    
 H   -5.140200       1.249200     -0.7876000    
 H   -4.795400      0.6313000      0.8410000    
 H    2.399100     -0.3798000       2.774300    
 H    2.899100      0.5517000      -2.536700    
 H    4.854800      -1.013400       1.803600    
 H    5.241300     -0.2669000      -2.427000    
 H    6.212900      -1.041400     -0.2852000    
 H   -2.745200      -4.790800      0.6952000    


%chk=000005307-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005307

0 1
O 1.195499 2.787366 1.867879
O -3.802598 -4.085376 -0.556076
O -2.907321 -3.129725 -2.473109
N -1.235687 2.147221 1.053835
N 3.304805 1.841510 1.388253
C -2.327948 0.622907 -0.259142
C -1.034878 1.035573 0.214853
C -2.619702 -0.547554 -1.165646
C -3.292750 1.506431 0.312452
C 1.517725 0.803931 0.342031
C 0.234435 0.462710 -0.085243
C 2.764204 0.124891 -0.043311
C -2.574979 2.433766 1.113603
C -2.996617 -1.822968 -0.367675
C 3.847240 0.787091 0.618026
C 1.909990 1.906704 1.264184
C -4.787580 1.478372 0.111894
C 3.044195 -0.973985 -0.883795
C 5.184312 0.386746 0.465354
C 4.387125 -1.390859 -1.049026
C 5.443525 -0.719350 -0.382897
C -3.210078 -3.027117 -1.263800
H -1.759361 -0.779689 -1.818394
H -3.455149 -0.298552 -1.846539
H 0.178886 -0.391975 -0.774247
H -0.414080 2.617728 1.516596
H -2.955499 3.265419 1.704607
H -2.195898 -2.076568 0.354664
H -3.906677 -1.666699 0.239099
H -5.261347 2.391832 0.511087
H -5.052934 1.407104 -0.959965
H -5.258308 0.614735 0.620727
H 3.830698 2.494825 1.967065
H 2.239846 -1.503174 -1.407562
H 6.002292 0.904300 0.977922
H 4.614147 -2.241827 -1.700017
H 6.475672 -1.057928 -0.524686
H -3.905811 -4.867918 -1.163800


