%chk=000056687.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056687

0 1
 O   -4.289800       1.351500      0.6695000    
 O   -4.913700      -1.235100     -0.4401000    
 N    3.070500       2.410900      -1.387500    
 C    1.167100       1.021600     -0.6617000    
 C    2.585300       1.533000     -0.3118000    
 C   0.4471000      0.2850000      0.4914000    
 C  -0.9739000     -9.4599999E-02  0.2432000    
 C    3.604400      0.4431000     -3.9200000E-02
 C   -2.000200      0.7888000      0.5788000    
 C   -3.327600      0.4338000      0.3379000    
 C   -1.274100      -1.331100     -0.3293000    
 C   -3.629500     -0.8154000     -0.2102000    
 C   -2.602000      -1.692700     -0.5579000    
 C    4.639600      0.6960000      0.8414000    
 C    3.472000     -0.7759000     -0.6778000    
 C   -5.552100       1.040100      7.3299997E-02
 C   -5.870300     -0.4313000      0.2559000    
 C    5.576600     -0.3063000       1.092400    
 C    4.409100      -1.778200     -0.4267000    
 C    5.461400      -1.543300      0.4583000    
 H    1.154200      0.4082000      -1.570400    
 H   0.5488000       1.896600     -0.9126000    
 H    2.492800       2.148000      0.5932000    
 H    1.008200     -0.6188000      0.7602000    
 H   0.4906000      0.9148000       1.390700    
 H   -1.770000       1.757800       1.015100    
 H  -0.4809000      -2.023300     -0.6001000    
 H    2.413200       3.178800      -1.521100    
 H    3.079500       1.897900      -2.268900    
 H   -2.827200      -2.660900     -0.9965000    
 H    4.738500       1.656300       1.338900    
 H    2.684000     -0.9944000      -1.388400    
 H   -5.516400       1.317300     -0.9875000    
 H   -6.312400       1.657000      0.5624000    
 H   -5.864300     -0.7177000       1.314900    
 H   -6.858800     -0.6601000     -0.1544000    
 H    6.396300     -0.1235000       1.781100    
 H    4.322800      -2.740100     -0.9238000    
 H    6.191700      -2.323300      0.6527000    


%chk=000056687-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056687

0 1
O -4.387133 1.390143 0.591617
O -4.990500 -1.263164 -0.504430
N 3.088986 2.457033 -1.306605
C 1.108681 1.055535 -0.535124
C 2.558838 1.545368 -0.256334
C 0.461304 0.293121 0.655317
C -0.978905 -0.110009 0.376706
C 3.586773 0.425357 -0.046221
C -2.043600 0.788909 0.625397
C -3.373933 0.435456 0.326194
C -1.283485 -1.379127 -0.185935
C -3.666298 -0.846083 -0.215741
C -2.614033 -1.746019 -0.476118
C 4.741573 0.692768 0.732880
C 3.462000 -0.851043 -0.649985
C -5.673482 1.064374 -0.060952
C -6.010594 -0.415279 0.147614
C 5.741572 -0.286570 0.913136
C 4.464164 -1.835120 -0.478259
C 5.606076 -1.557850 0.305736
H 1.079578 0.426051 -1.446711
H 0.489146 1.946712 -0.763537
H 2.522101 2.139144 0.681921
H 1.067014 -0.603859 0.882565
H 0.509140 0.943498 1.551634
H -1.856359 1.780458 1.053026
H -0.473397 -2.091170 -0.382137
H 2.475276 3.254803 -1.508495
H 3.382577 1.968815 -2.159819
H -2.859747 -2.729129 -0.890065
H 4.856189 1.684961 1.185243
H 2.582455 -1.087560 -1.259772
H -5.602574 1.292738 -1.142400
H -6.419742 1.722617 0.412329
H -6.047986 -0.652380 1.228925
H -6.967534 -0.684563 -0.327663
H 6.624767 -0.060863 1.521601
H 4.351129 -2.816496 -0.953340
H 6.380460 -2.321077 0.443204


