%chk=000043139.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043139

0 1
 O   -4.707800       1.504600     -7.9300001E-02
 O   -5.259200      -1.309400      0.2181000    
 O   0.2799000       1.766900     -0.2633000    
 N    4.988600     -0.1755000     -0.3301000    
 C    6.100400      -1.125300     -0.3583000    
 C    5.277100      0.7135000      0.7950000    
 C    7.311300     -0.2394000     -0.1061000    
 C    6.770900      0.9674000      0.6550000    
 C    3.697600     -0.8349000     -0.2004000    
 C    2.563100      0.1851000     -0.2377000    
 C    1.179400     -0.4672000     -0.1510000    
 C   2.1800000E-02  0.5491000     -0.1715000    
 C   -1.353400      8.5000001E-02 -8.0899999E-02
 C   -2.402100       1.004600     -0.1061000    
 C   -3.720600      0.5554000     -2.8600000E-02
 C   -1.621900      -1.280100      2.4499999E-02
 C   -3.988300     -0.8093000      0.1044000    
 C   -2.939500      -1.729200      0.1160000    
 C   -5.990000      0.9270000     -0.3401000    
 C   -6.207400     -0.2883000      0.5402000    
 H    6.175100      -1.646000      -1.318100    
 H    6.016400      -1.873800      0.4402000    
 H    5.071700      0.2334000       1.760500    
 H    4.727800       1.658700      0.7464000    
 H    7.757600      8.8799998E-02  -1.052300    
 H    8.082900     -0.7664000      0.4642000    
 H    7.252000       1.078700       1.632000    
 H    6.959700       1.882100      8.1000000E-02
 H    3.638900      -1.424300      0.7240000    
 H    3.564700      -1.533800      -1.035600    
 H    2.625600      0.7768000      -1.160400    
 H    2.649000      0.8925000      0.5955000    
 H    1.055700      -1.146100      -1.002300    
 H    1.119200      -1.037500      0.7830000    
 H   -2.210600       2.071000     -0.1968000    
 H  -0.8374000      -2.029900      4.2800002E-02
 H   -3.140000      -2.793300      0.2064000    
 H   -6.048700      0.6704000      -1.405100    
 H   -6.747200       1.688800     -0.1300000    
 H   -6.107000     -3.9999999E-02   1.604000    
 H   -7.208300     -0.7007000      0.3786000    


%chk=000043139-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043139

0 1
O -4.801494 1.517993 -0.005912
O -5.382842 -1.348392 0.110579
O 0.244001 1.821020 -0.071858
N 5.042808 -0.188964 -0.251881
C 6.154908 -1.172847 -0.293290
C 5.447007 0.799447 0.783444
C 7.422667 -0.286658 -0.238881
C 6.972629 0.987698 0.554211
C 3.709416 -0.791504 -0.063086
C 2.570541 0.240971 -0.174336
C 1.187506 -0.429574 -0.097553
C 0.026177 0.572183 -0.073659
C -1.378070 0.043006 -0.043964
C -2.445026 0.978931 -0.032551
C -3.776915 0.543042 -0.000454
C -1.678247 -1.349151 -0.032605
C -4.066737 -0.853742 0.040580
C -3.012559 -1.791152 0.011916
C -6.127520 0.960224 -0.350794
C -6.386333 -0.313696 0.457165
H 6.094117 -1.790978 -1.207287
H 6.128699 -1.863801 0.590882
H 5.255161 0.403167 1.815656
H 4.880364 1.739659 0.674120
H 7.735020 -0.009292 -1.260134
H 8.266483 -0.810685 0.243235
H 7.506722 1.090732 1.515046
H 7.169918 1.898398 -0.036268
H 3.635117 -1.315124 0.930977
H 3.578253 -1.567754 -0.844051
H 2.672587 0.791813 -1.126892
H 2.648235 0.995618 0.628959
H 1.045719 -1.120080 -0.954711
H 1.118347 -1.063838 0.812311
H -2.216448 2.049016 -0.057116
H -0.874423 -2.090775 -0.048976
H -3.263903 -2.855807 0.037613
H -6.162472 0.744668 -1.436359
H -6.853285 1.750988 -0.103607
H -6.325669 -0.104591 1.542165
H -7.363460 -0.760770 0.215165


