%chk=000087665.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087665

0 1
 O   -6.338900       1.063300      -1.057000    
 O  -0.4578000     -0.1254000       1.166100    
 O    3.672300      -1.143300     -0.9075000    
 N   -3.918400      0.9068000      0.4325000    
 N    3.202900       1.049800     -0.2616000    
 N    1.127700       1.553700      0.7979000    
 N    3.816100       3.793300      1.0400000E-02
 C   -3.952700      0.6282000      -1.009900    
 C   -5.216500      0.5807000       1.039300    
 C   -2.841100      0.1609000       1.079700    
 C   -5.091500       1.408000      -1.660700    
 C   -6.326100       1.360700      0.3397000    
 C   -1.499400      0.5810000      0.5040000    
 C   0.7920000      0.2271000      0.6807000    
 C    1.582700     -0.7168000      0.1301000    
 C    2.923700     -0.3076000     -0.4036000    
 C    1.154200      -2.122800      3.0600000E-02
 C    2.283300       1.896700      0.3344000    
 C    4.397000       1.578300     -0.7062000    
 C   0.4664000      -2.561300      -1.099400    
 C    1.438300      -3.011000       1.066200    
 C    2.685200       3.335700      0.4406000    
 C   6.1099999E-02  -3.892700      -1.194100    
 C    1.033200      -4.342400      0.9715000    
 C    4.661600       2.882300     -0.5649000    
 C   0.3445000      -4.783200     -0.1587000    
 H   -4.090800     -0.4455000      -1.191400    
 H   -3.043100      0.9529000      -1.521000    
 H   -5.215500      0.8417000       2.103700    
 H   -5.416900     -0.4953000      0.9527000    
 H   -2.970100     -0.9245000      0.9739000    
 H   -2.833800      0.3634000       2.158500    
 H   -4.935900       2.491300      -1.586200    
 H   -5.156800       1.155700      -2.724100    
 H   -7.299400       1.073100      0.7499000    
 H   -6.212500       2.442200      0.4826000    
 H   -1.374100       1.663700      0.6353000    
 H   -1.416500      0.3385000     -0.5599000    
 H    5.108200      0.9053000      -1.170600    
 H   0.2381000      -1.878600      -1.914300    
 H    1.974700      -2.682100       1.952800    
 H    1.950000       4.004700      0.9157000    
 H  -0.4753000      -4.235800      -2.074000    
 H    1.253900      -5.036000       1.777600    
 H    5.605800       3.281500     -0.9202000    
 H   2.8999999E-02  -5.819800     -0.2323000    


%chk=000087665-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087665

0 1
O -6.808667 1.862677 -0.228834
O -0.601377 -0.335131 0.153801
O 4.140074 -1.154924 -0.423372
N -4.133851 0.861043 0.297426
N 3.258079 1.017165 -0.300101
N 0.906225 1.438117 -0.025400
N 3.691602 3.811659 -0.350370
C -4.561599 1.234039 -1.077030
C -5.301237 0.392958 1.089228
C -2.989348 -0.078997 0.318976
C -5.648097 2.320187 -1.010730
C -6.374879 1.493137 1.128968
C -1.673639 0.700466 0.192786
C 0.704918 0.085982 0.016507
C 1.721929 -0.909237 -0.090787
C 3.089521 -0.461046 -0.283925
C 1.446835 -2.370492 -0.026289
C 2.161106 1.892336 -0.173255
C 4.546075 1.528215 -0.445630
C 2.204951 -3.285930 -0.813671
C 0.440666 -2.900803 0.833064
C 2.459995 3.304479 -0.211797
C 1.951283 -4.671933 -0.756681
C 0.200588 -4.288440 0.898096
C 4.740309 2.898676 -0.465228
C 0.949752 -5.183573 0.099902
H -4.962700 0.346496 -1.628186
H -3.694861 1.621450 -1.644166
H -4.970321 0.167541 2.120478
H -5.749295 -0.536566 0.656770
H -3.046817 -0.848581 -0.486555
H -2.988991 -0.619386 1.283101
H -5.225126 3.240061 -0.552412
H -6.041596 2.551310 -2.014305
H -7.284619 1.143718 1.644498
H -5.968825 2.387586 1.648899
H -1.515745 1.368391 1.055658
H -1.622978 1.304551 -0.729902
H 5.330446 0.773509 -0.535407
H 2.999532 -2.908908 -1.461220
H -0.150152 -2.223780 1.454101
H 1.616943 3.995521 -0.118706
H 2.543063 -5.353467 -1.377872
H -0.571615 -4.671600 1.574803
H 5.741809 3.319596 -0.575006
H 0.759437 -6.261674 0.148573


