%chk=000034408.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034408

0 1
 O   -4.387800       1.243500      0.2227000    
 O   0.3144000     -0.2551000      0.1624000    
 O   0.5754000      -1.066500      -2.006900    
 O    2.174300      -3.567300       1.571800    
 O   0.3189000      -2.538900       1.007100    
 N    1.748600       1.967700     -0.5164000    
 N    1.565400      -2.560500       1.138900    
 C   -4.232200       1.219700       1.640900    
 C    2.393900      0.8816000     -5.0600000E-02
 C    3.796400      0.8560000      9.8800004E-02
 C    1.677200     -0.2594000      0.2995000    
 C    2.314000      -1.403800      0.7860000    
 C   -3.691200      0.3185000     -0.4925000    
 C   -1.614800     -0.6599000      -1.156200    
 C    4.437100     -0.2949000      0.5880000    
 C    3.695600      -1.422000      0.9304000    
 C   -2.298400      0.2879000     -0.4226000    
 C   -3.643800       2.544300       2.102200    
 C   -5.580700      0.9425000       2.288000    
 C    4.518400       2.004400     -0.2535000    
 C  -0.1317000     -0.6924000      -1.083200    
 C   -4.369700     -0.5995000      -1.294000    
 C   -2.262600      -1.578600      -1.956300    
 C   -3.655300      -1.548100      -2.025700    
 C    3.856300       3.125200     -0.7337000    
 C    2.482400       3.055600     -0.8451000    
 H   -3.551600      0.4156000       1.952400    
 H    5.518400     -0.3190000      0.7048000    
 H    4.231600      -2.290100       1.304600    
 H   -1.775100       1.020600      0.1839000    
 H   -3.513800       2.564600       3.188600    
 H   -2.671300       2.725000       1.633200    
 H   -4.290800       3.379700       1.812300    
 H   -5.502400      0.9175000       3.379100    
 H   -5.979200     -1.8100001E-02   1.944200    
 H   -6.313900       1.706200       2.006100    
 H    5.601200       2.031600     -0.1554000    
 H   -5.454600     -0.5811000      -1.351400    
 H   -1.717600      -2.324100      -2.527700    
 H   -4.183800      -2.263700      -2.648900    
 H    4.398700       4.021300      -1.010800    
 H    1.910900       3.900800      -1.214500    


%chk=000034408-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034408

0 1
O -4.731499 0.462250 0.607762
O 0.260436 -0.316430 0.074070
O 0.587168 -1.046535 -2.132290
O 1.857178 -2.747633 2.968884
O 0.462134 -2.811405 1.164692
N 1.808610 1.673094 -1.075540
N 1.456049 -2.315987 1.815358
C -4.205757 0.770827 1.972514
C 2.432150 0.769431 -0.231182
C 3.834801 0.848488 0.112228
C 1.630559 -0.290640 0.328126
C 2.225973 -1.200039 1.216820
C -3.844796 0.087290 -0.406673
C -1.666007 -0.473533 -1.363479
C 4.396132 -0.097205 1.030718
C 3.602616 -1.093848 1.586146
C -2.446346 -0.058847 -0.253151
C -3.594251 2.182536 1.998074
C -5.415808 0.623993 2.899679
C 4.598670 1.900541 -0.490513
C -0.198203 -0.648550 -1.256434
C -4.450693 -0.174444 -1.664786
C -2.267426 -0.740367 -2.618883
C -3.663302 -0.585166 -2.758085
C 3.969737 2.794887 -1.357644
C 2.567079 2.645142 -1.613174
H -3.443294 0.007849 2.232005
H 5.457396 -0.027890 1.292796
H 3.999544 -1.817361 2.302614
H -1.943310 0.130593 0.696028
H -3.209574 2.410462 3.009049
H -2.759872 2.286136 1.283500
H -4.364225 2.931279 1.741195
H -5.121326 0.824797 3.945445
H -5.830652 -0.396312 2.839662
H -6.207168 1.338900 2.613599
H 5.666325 1.990211 -0.261310
H -5.535026 -0.055504 -1.753866
H -1.638659 -1.060671 -3.454792
H -4.142821 -0.787347 -3.721492
H 4.522841 3.607949 -1.837303
H 2.051417 3.345864 -2.279866


