%chk=000056033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056033

0 1
 O   -5.265000      -1.626600      0.5938000    
 O    5.267500      -1.626900     -0.5852000    
 O   -3.680600     -0.2896000      -2.591600    
 O    3.669800     -0.2871000       2.592300    
 O   -3.724700      -1.864600       2.291000    
 O    3.734700      -1.864700      -2.289200    
 N   -1.720300     -0.9593000      0.7139000    
 N    1.715000     -0.9574000     -0.7256000    
 C  -0.6952000     -0.9526000     -0.3240000    
 C   0.6934000     -0.9462000      0.3083000    
 C   -3.052500     -0.9552000      0.1270000    
 C    3.053400     -0.9539000     -0.1288000    
 C   -3.456800      0.4342000     -0.3172000    
 C    3.456600      0.4356000      0.3166000    
 C   -4.016500      -1.539400       1.147000    
 C    4.021500      -1.539200      -1.144100    
 C   -3.750900      0.6975000      -1.655200    
 C    3.744900      0.6994000       1.655700    
 C   -3.533600       1.457000      0.6281000    
 C    3.538400       1.457800     -0.6290000    
 C   -4.121900       1.983800      -2.047500    
 C    4.115100       1.985600       2.048900    
 C   -3.904600       2.743200      0.2356000    
 C    3.908400       2.743900     -0.2354000    
 C   -4.198600       3.006600      -1.102200    
 C    4.196700       3.007800       1.103400    
 C   -6.286200      -2.144200       1.452200    
 C    6.292200      -2.145700      -1.438800    
 H  -0.7956000     -6.5600000E-02 -0.9613000    
 H  -0.8001000      -1.838400     -0.9636000    
 H   0.7879000     -5.3399999E-02  0.9384000    
 H   0.7999000      -1.825500      0.9569000    
 H   -3.077600      -1.671600     -0.7050000    
 H    3.071200      -1.670400      0.7033000    
 H   -1.594000      -1.800800       1.277700    
 H    1.593400      -1.802400      -1.285000    
 H   -3.309800       1.271600       1.675400    
 H    3.319300       1.272000      -1.677200    
 H   -4.353800       2.203300      -3.086300    
 H    4.342500       2.205500       3.088600    
 H   -3.964800       3.539600      0.9716000    
 H    3.972400       3.539900     -0.9717000    
 H   -4.487400       4.008000      -1.407600    
 H    4.484800       4.009200       1.409600    
 H   -3.917100      7.9000004E-02  -3.459900    
 H    3.902700      8.1900001E-02   3.461500    
 H   -7.224800      -2.161200      0.8919000    
 H   -6.410300      -1.496700       2.325500    
 H   -6.041500      -3.165600       1.758800    
 H    7.228200      -2.163100     -0.8741000    
 H    6.420800      -1.498800      -2.311800    
 H    6.048300      -3.167100      -1.746000    


%chk=000056033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056033

0 1
O -5.454563 -1.306970 0.560415
O 5.454500 -1.306042 -0.559155
O -4.561435 -0.402525 -2.485618
O 4.561781 -0.399926 2.485903
O -3.851791 -2.432702 1.808925
O 3.852002 -2.433173 -1.806766
N -1.805805 -1.133177 0.526795
N 1.805683 -1.132905 -0.525766
C -0.660213 -1.075458 -0.395105
C 0.660038 -1.074435 0.396063
C -3.131112 -1.034311 -0.103285
C 3.130965 -1.033432 0.104347
C -3.485389 0.406866 -0.484612
C 3.485064 0.408032 0.484688
C -4.152536 -1.658631 0.867956
C 4.152556 -1.658489 -0.866257
C -4.207410 0.692665 -1.670300
C 4.207261 0.694706 1.670051
C -3.088276 1.485477 0.335762
C 3.087670 1.486061 -0.336321
C -4.539672 2.022755 -2.019094
C 4.539360 2.025073 2.017955
C -3.416873 2.819070 0.004682
C 3.416071 2.819916 -0.006123
C -4.148193 3.085670 -1.175551
C 4.147539 3.087390 1.173826
C -6.503581 -1.916213 1.414522
C 6.503672 -1.915650 -1.412811
H -0.720665 -0.146017 -0.990185
H -0.652886 -1.926112 -1.126188
H 0.719897 -0.144040 0.989707
H 0.653266 -1.923973 1.128450
H -3.215372 -1.648719 -1.034831
H 3.215153 -1.647171 1.036340
H -1.768191 -1.911557 1.198877
H 1.768112 -1.912053 -1.196979
H -2.494377 1.248235 1.225400
H 2.493631 1.248170 -1.225689
H -5.098036 2.227657 -2.942533
H 5.097886 2.230645 2.941149
H -3.101212 3.641342 0.655307
H 3.100155 3.641727 -0.657208
H -4.407844 4.115042 -1.446729
H 4.407055 4.116979 1.444312
H -5.051903 -0.096123 -3.287582
H 5.052428 -0.092949 3.287535
H -7.447845 -1.514192 1.022594
H -6.351576 -1.626562 2.467645
H -6.471413 -3.015734 1.332094
H 7.447827 -1.512942 -1.021323
H 6.351481 -1.626988 -2.466179
H 6.471916 -3.015111 -1.329411


