%chk=000054695.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054695

0 1
 O    4.926700       1.559400     -0.6360000    
 O    5.484500      -1.155900     -0.7877000    
 O   -5.489300       1.099600      0.3161000    
 O   -5.172000      -1.524700     -0.5420000    
 N  -0.2243000     -0.2622000       1.969900    
 C    1.854200      0.1453000      0.7435000    
 C    2.137600      -1.225200      0.6861000    
 C   0.5221000      0.5314000       1.274800    
 C    1.090500      -2.197100       1.142700    
 C  -8.9999998E-04   1.918400      0.9885000    
 C   0.3095000      -1.588000       2.299800    
 C  -0.7286000       1.948100     -0.3470000    
 C    2.791300       1.081300      0.3020000    
 C    3.358000      -1.656000      0.1585000    
 C   -1.919000       1.021500     -0.3984000    
 C    4.013800      0.6423000     -0.2082000    
 C    4.295600     -0.7221000     -0.2828000    
 C   -3.164200       1.494200     -1.4900000E-02
 C   -1.745500     -0.2847000     -0.8275000    
 C   -4.264500      0.6382000     -6.1999999E-02
 C   -2.845900      -1.140600     -0.8744000    
 C   -4.105300     -0.6792000     -0.4916000    
 C    4.563700       2.934000     -0.5265000    
 C    5.540700      -1.403700      -2.191000    
 C   -6.304600       1.680800     -0.6995000    
 C   -4.924200      -2.855000     -0.9926000    
 H   0.4239000      -2.421900      0.3023000    
 H    1.548400      -3.137000       1.471100    
 H  -0.6993000       2.184100       1.794100    
 H   0.7762000       2.682100       1.026600    
 H  -0.5273000      -2.247800       2.553800    
 H   0.9363000      -1.506800       3.196700    
 H  -3.8800001E-02   1.695600      -1.163000    
 H   -1.060500       2.973700     -0.5541000    
 H    2.551700       2.130900      0.3712000    
 H    3.579500      -2.718300      9.3400002E-02
 H   -3.290100       2.519200      0.3235000    
 H  -0.7726000     -0.6508000      -1.141600    
 H   -2.647700      -2.149100      -1.220700    
 H    4.422500       3.234100      0.5175000    
 H    3.699200       3.176100      -1.154300    
 H    5.405600       3.519400     -0.9111000    
 H    5.322000     -0.4902000      -2.753100    
 H    4.836200      -2.194000      -2.469100    
 H    6.552800      -1.733800      -2.440400    
 H   -6.519400      0.9508000      -1.486300    
 H   -5.814600       2.561300      -1.127200    
 H   -7.248700       1.992500     -0.2445000    
 H   -4.246100      -3.389700     -0.3187000    
 H   -4.578000      -2.871200      -2.031600    
 H   -5.881000      -3.387000     -0.9682000    


%chk=000054695-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054695

0 1
O 4.762739 1.243557 -1.060495
O 5.138881 -1.600398 -1.006142
O -5.386370 1.170805 0.327418
O -5.103310 -1.350877 -0.977549
N -0.052154 -0.072944 2.603623
C 1.757004 0.097871 0.925301
C 2.003899 -1.305867 0.939067
C 0.563578 0.614743 1.663662
C 1.006380 -2.185182 1.673507
C 0.006676 1.993590 1.340410
C 0.472353 -1.434071 2.913447
C -0.555281 2.123872 -0.114468
C 2.660537 0.953166 0.241874
C 3.123498 -1.815707 0.255250
C -1.738054 1.207380 -0.390875
C 3.797631 0.441096 -0.419590
C 4.023842 -0.972117 -0.433930
C -3.044041 1.570263 0.020861
C -1.569543 -0.033079 -1.048698
C -4.155791 0.730999 -0.194857
C -2.668340 -0.894694 -1.270134
C -3.964588 -0.532261 -0.837089
C 4.587703 2.695891 -0.989956
C 5.566076 -1.205529 -2.364599
C -6.564362 1.144555 -0.562427
C -4.905274 -2.685302 -1.545446
H 0.149730 -2.412133 1.003675
H 1.460333 -3.149972 1.964372
H -0.797087 2.193042 2.069573
H 0.787912 2.768632 1.484612
H -0.345679 -2.000843 3.391497
H 1.279947 -1.324504 3.669782
H 0.253303 1.913222 -0.838922
H -0.854287 3.179885 -0.262177
H 2.487724 2.032841 0.259742
H 3.334002 -2.890371 0.240342
H -3.230397 2.523146 0.529093
H -0.573029 -0.335453 -1.391757
H -2.503117 -1.852135 -1.773982
H 4.583037 3.047698 0.059760
H 3.655466 3.016811 -1.494714
H 5.456933 3.115383 -1.517704
H 5.920486 -0.163452 -2.383066
H 4.732269 -1.331859 -3.081971
H 6.380757 -1.902962 -2.612365
H -6.816661 0.113225 -0.857507
H -6.381398 1.761148 -1.464538
H -7.376637 1.589053 0.033201
H -4.193957 -3.277406 -0.937555
H -4.544817 -2.632445 -2.591615
H -5.898418 -3.158013 -1.519842


