%chk=000055828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055828

0 1
 O   -2.040700      -2.118900     -0.9216000    
 O    3.346100      0.1448000      0.7047000    
 O    3.469200      0.5035000      -1.565700    
 N   7.1199998E-02   2.855800      2.1199999E-02
 N   0.3552000      -2.967500     -0.1698000    
 N   -4.633600      0.5622000      0.6489000    
 C   0.2827000      0.6785000     -0.4165000    
 C  -0.1909000     -0.6251000     -0.6650000    
 C  -0.6439000       1.699000     -0.1923000    
 C    1.577000       1.263300     -0.3298000    
 C   -2.472400      0.1791000     -0.4526000    
 C   -1.570800     -0.8588000     -0.6799000    
 C   0.7396000      -1.771800     -0.9170000    
 C   -2.026000       1.480200     -0.2042000    
 C    1.414200       2.602500     -5.9900001E-02
 C   -3.944900     -7.9400003E-02 -0.4705000    
 C    2.401100       3.683600      0.1315000    
 C    2.854000      0.6237000     -0.4863000    
 C   0.3655000      -2.698200       1.268000    
 C    1.250700      -4.079800     -0.4870000    
 C   -4.114100      6.3699998E-02   1.921900    
 C   -6.075300      0.3340000      0.5606000    
 C    4.616800     -0.5143000      0.6790000    
 C    4.969500     -0.9600000       2.082200    
 H   0.7120000      -1.980100      -1.995300    
 H    1.774900      -1.528200     -0.6809000    
 H   -2.710700       2.306100     -3.9900001E-02
 H  -0.3411000       3.759200      0.2101000    
 H   -4.330700      0.3179000      -1.419000    
 H   -4.167600      -1.153800     -0.4714000    
 H    3.064700       3.451400      0.9708000    
 H    3.015100       3.804300     -0.7669000    
 H    1.921100       4.645200      0.3407000    
 H  -0.3896000      -1.967500       1.573500    
 H    1.345300      -2.348200       1.615000    
 H   0.1239000      -3.612700       1.823200    
 H   0.9317000      -4.990300      3.2200001E-02
 H    2.289700      -3.869600     -0.2076000    
 H    1.220100      -4.304600      -1.559000    
 H   -1.339400      -2.695500      -1.261600    
 H   -3.068700      0.3376000       2.094100    
 H   -4.204900      -1.026000       2.006900    
 H   -4.670500      0.5091000       2.755400    
 H   -6.472100      0.7359000     -0.3784000    
 H   -6.597800      0.8570000       1.369300    
 H   -6.332100     -0.7302000      0.6164000    
 H    4.560100      -1.384100      1.5500000E-02
 H    5.377800      0.1795000      0.3058000    
 H    5.937100      -1.469100       2.099400    
 H    5.008900     -0.1014000       2.760700    
 H    4.204900      -1.639500       2.473400    


%chk=000055828-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055828

0 1
O -1.795941 -2.294775 -0.356171
O 3.350204 -0.159811 0.347818
O 4.010387 2.004774 -0.168810
N -0.097874 2.977807 -0.009006
N 0.561553 -3.052568 0.182572
N -4.796636 0.611406 0.389429
C 0.385066 0.730120 -0.116697
C 0.002065 -0.641354 -0.253562
C -0.679144 1.698809 -0.065773
C 1.639238 1.513967 -0.068896
C -2.420015 0.029004 -0.158486
C -1.393654 -0.963687 -0.246911
C 0.966279 -1.782690 -0.541259
C -2.047923 1.380766 -0.089307
C 1.278426 2.890590 -0.021359
C -3.880473 -0.396739 -0.202379
C 2.123438 4.129762 0.031762
C 3.061880 1.182659 0.002507
C 0.764971 -2.945327 1.653496
C 1.235810 -4.245273 -0.386630
C -4.711632 0.646267 1.864575
C -6.187763 0.446777 -0.075071
C 4.804178 -0.475269 0.458762
C 4.919308 -1.947940 0.845136
H 0.917356 -2.029588 -1.622099
H 2.002042 -1.502328 -0.292356
H -2.838621 2.138333 -0.047963
H -0.621204 3.850388 0.037557
H -4.179566 -0.545061 -1.259640
H -3.975562 -1.398140 0.280657
H 2.885435 4.057870 0.826012
H 2.688264 4.264771 -0.907102
H 1.499317 5.025518 0.207778
H 0.249848 -2.043912 2.023798
H 1.841436 -2.869249 1.917832
H 0.332692 -3.831772 2.149509
H 0.892626 -5.151973 0.141024
H 2.343423 -4.183393 -0.295056
H 0.976380 -4.342678 -1.455085
H -0.912837 -2.874908 -0.142320
H -3.665711 0.815680 2.172748
H -5.061862 -0.303710 2.343358
H -5.327718 1.476412 2.255548
H -6.223940 0.506970 -1.177562
H -6.813877 1.261049 0.333616
H -6.649086 -0.526163 0.233668
H 5.289648 -0.254022 -0.509053
H 5.249129 0.191897 1.218741
H 5.984874 -2.220231 0.956559
H 4.410579 -2.145821 1.804948
H 4.477486 -2.600716 0.071441


