%chk=000010523.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010523

0 1
 O    4.003100      0.5021000      -1.834100    
 O  -0.6128000      0.5454000      0.4606000    
 O   -4.092500      0.6223000      0.5518000    
 O   -2.018300      0.2162000       2.250700    
 O   -3.655600      -2.018500      0.9572000    
 N    3.708300      0.1516000     -0.5503000    
 C    2.205400     -7.2899997E-02 -0.3651000    
 C    1.733400       1.054200      0.5559000    
 C    4.088300       1.255400      0.4098000    
 C    2.066100      -1.504500      0.1512000    
 C    4.361300      -1.164600     -0.1980000    
 C    2.959300       1.321100       1.420900    
 C    3.281200      -2.199600     -0.4286000    
 C   0.4765000      0.7703000       1.360900    
 C   -2.899900      6.1900001E-02 -2.1199999E-02
 C   -1.816600      0.2760000       1.043300    
 C   -2.608800      0.8815000      -1.314200    
 C   -3.151500      -1.449400     -0.2575000    
 C   -2.506100       2.395400      -1.107200    
 C   -3.618500      0.5920000      -2.437500    
 C   -1.902500      -2.235900     -0.6487000    
 H    1.749800      1.3100000E-02  -1.359900    
 H    1.547700       1.936100     -7.4299999E-02
 H    4.137200       2.177600     -0.1811000    
 H    5.071500       1.045200      0.8390000    
 H    1.133600      -1.970000     -0.1755000    
 H    2.107900      -1.554800       1.244600    
 H    4.647100      -1.127200      0.8588000    
 H    5.246500      -1.297100     -0.8263000    
 H    3.082800      0.5467000       2.186600    
 H    2.915300       2.292900       1.921300    
 H    3.499600      -3.149400      6.6699997E-02
 H    3.143600      -2.386400      -1.499700    
 H   0.2427000       1.641200       1.985600    
 H   0.5986000     -9.7400002E-02   2.017900    
 H   -1.636700      0.5604000      -1.712800    
 H   -3.938600      -1.611800     -0.9994000    
 H   -1.761200       2.662100     -0.3527000    
 H   -2.214400       2.893000      -2.038800    
 H   -3.466600       2.818600     -0.7942000    
 H   -3.551500     -0.4429000      -2.785300    
 H   -4.646700      0.7899000      -2.119300    
 H   -3.415400       1.224900      -3.309000    
 H   -4.858500      0.2760000      6.3600004E-02
 H   -1.428300      -1.829200      -1.545700    
 H   -2.168400      -3.280500     -0.8457000    
 H   -1.175200      -2.259900      0.1684000    
 H   -4.461300      -1.530600       1.198100    


%chk=000010523-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000010523

0 1
O 4.171326 -1.205364 -1.523011
O -0.534862 1.013294 0.016109
O -3.734204 -0.555628 0.735040
O -1.452793 0.088513 1.952738
O -1.706209 -2.313323 -0.153980
N 3.753979 -0.659690 -0.288831
C 2.161638 -0.491036 -0.214600
C 1.931793 1.030116 -0.005255
C 4.330459 0.752270 -0.053333
C 1.693998 -1.479496 0.877038
C 4.091503 -1.627916 0.870574
C 3.235333 1.527410 0.692060
C 2.844689 -2.515775 0.960445
C 0.681668 1.431983 0.778003
C -2.693618 -0.059780 -0.202752
C -1.529405 0.334249 0.735292
C -3.204997 1.162545 -1.030296
C -2.276020 -1.306789 -1.063401
C -3.604257 2.333209 -0.100415
C -4.380134 0.792629 -1.971139
C -1.264808 -1.082182 -2.187893
H 1.850136 -0.830056 -1.212181
H 1.887028 1.509680 -1.003138
H 4.505750 1.143276 -1.067707
H 5.291194 0.666448 0.477980
H 0.723257 -1.933958 0.615125
H 1.574580 -0.979584 1.857886
H 4.224077 -1.057022 1.812240
H 5.023396 -2.130481 0.578180
H 3.226643 1.272345 1.770530
H 3.366382 2.620555 0.607750
H 2.812740 -3.109137 1.889733
H 2.817625 -3.202036 0.096176
H 0.621748 2.531594 0.873894
H 0.638423 0.978252 1.783234
H -2.352877 1.492334 -1.653211
H -3.220852 -1.706460 -1.498170
H -2.741451 2.695996 0.486074
H -3.988387 3.180704 -0.696384
H -4.389084 2.022974 0.612696
H -4.116601 -0.000874 -2.692386
H -5.280244 0.467803 -1.410364
H -4.680203 1.683719 -2.551004
H -4.567712 -0.681322 0.211680
H -1.691473 -0.450235 -2.986386
H -0.998919 -2.059786 -2.624963
H -0.349174 -0.601093 -1.813493
H -2.300177 -2.352376 0.644616


