%chk=000088635.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088635

0 1
 O    4.630400      -1.038600      0.7457000    
 O   -4.629700      -1.085700     -0.7482000    
 O    3.306800       5.018100     -0.2267000    
 O   -3.368600       4.983600      0.2291000    
 O    5.248800       4.882000      -1.241200    
 O   -5.309000       4.826700       1.243500    
 N    4.312700       4.360900     -0.5880000    
 N   -4.367700       4.315700      0.5899000    
 C   1.6500000E-02  -4.198200     -2.4999999E-03
 C    1.296200      -3.321400      0.2052000    
 C   -1.211300      -3.375300     -0.1998000    
 C  -0.2248000      -5.172600       1.203600    
 C   0.3865000      -5.164800      -1.190300    
 C    1.973600      -3.474500       1.373800    
 C   -1.948000      -3.493600      -1.378300    
 C    1.638800      -2.470500     -0.7979000    
 C   -1.623500      -2.487900      0.7942000    
 C    3.114600      -2.693800       1.558900    
 C   -3.096900      -2.724500      -1.562800    
 C    2.779800      -1.689800     -0.6128000    
 C   -2.772600      -1.718900      0.6098000    
 C    3.517700      -1.801400      0.5656000    
 C   -3.509300      -1.837100     -0.5688000    
 C    4.551200      0.3035000      0.4138000    
 C   -4.564400      0.2570000     -0.4152000    
 C    3.445100       1.032000      0.8124000    
 C   -3.465800      0.9971000     -0.8132000    
 C    5.581000      0.8811000     -0.3066000    
 C   -5.600000      0.8234000      0.3056000    
 C    3.366100       2.384200      0.4792000    
 C   -3.400600       2.349800     -0.4789000    
 C    5.502000       2.233300     -0.6398000    
 C   -5.534900       2.176000      0.6399000    
 C    4.394400       2.984800     -0.2468000    
 C   -4.435200       2.939200      0.2476000    
 H  -0.4156000      -4.647400       2.146900    
 H   0.6119000      -5.865800       1.354100    
 H   -1.112000      -5.792100       1.015200    
 H    1.307900      -5.720600     -0.9731000    
 H   0.5508000      -4.633600      -2.134800    
 H  -0.4037000      -5.906500      -1.360200    
 H    1.710000      -4.143700       2.180500    
 H   -1.672800      -4.167900      -2.181600    
 H    1.073300      -2.373100      -1.717800    
 H   -1.067100      -2.379000       1.721200    
 H    3.685300      -2.783100       2.479500    
 H   -3.667100      -2.820000      -2.482800    
 H    3.082200      -1.019400      -1.413100    
 H   -3.082200      -1.052700       1.410700    
 H    2.643000      0.5933000       1.398700    
 H   -2.659200      0.5672000      -1.399900    
 H    6.443300      0.2968000     -0.6130000    
 H   -6.456300      0.2299000      0.6115000    
 H    2.490700       2.939700      0.8060000    
 H   -2.531000       2.914500     -0.8054000    
 H    6.321600       2.667400      -1.206600    
 H   -6.359000       2.601300       1.207200    


%chk=000088635-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088635

0 1
O 4.857088 -1.106145 0.164990
O -4.833201 -1.176194 -0.156215
O 4.368013 5.272184 0.145748
O -4.439084 5.208813 -0.156004
O 6.564546 4.991831 -0.411479
O -6.628897 4.897152 0.411102
N 5.396160 4.528296 -0.105574
N -5.454946 4.450337 0.101621
C 0.035222 -4.341558 -0.000323
C 1.291383 -3.440472 0.108260
C -1.233434 -3.457613 -0.107221
C -0.141073 -5.262152 1.243918
C 0.223533 -5.257616 -1.245947
C 2.285769 -3.617006 1.101931
C -2.228571 -3.650799 -1.097122
C 1.499490 -2.423459 -0.864359
C -1.452882 -2.441861 0.864061
C 3.445262 -2.808586 1.133757
C -3.399890 -2.859582 -1.126343
C 2.650337 -1.612524 -0.854413
C -2.615591 -1.647868 0.856611
C 3.616769 -1.811767 0.157332
C -3.582541 -1.863389 -0.151207
C 4.901695 0.292951 0.080787
C -4.898261 0.222310 -0.075358
C 3.796441 1.137206 0.363308
C -3.806924 1.082125 -0.364951
C 6.168404 0.836176 -0.252772
C -6.171487 0.747591 0.262145
C 3.963205 2.531841 0.303505
C -3.994099 2.474288 -0.308185
C 6.334642 2.227881 -0.314222
C -6.358096 2.136840 0.320531
C 5.226663 3.064186 -0.039064
C -5.263859 2.988749 0.038402
H -0.213760 -4.680642 2.180147
H 0.698175 -5.975485 1.336661
H -1.071200 -5.847806 1.140629
H 1.161446 -5.830945 -1.143699
H 0.288063 -4.673846 -2.181362
H -0.606049 -5.982020 -1.339681
H 2.170212 -4.387924 1.869374
H -2.104247 -4.421444 -1.863456
H 0.745803 -2.262077 -1.643820
H -0.698875 -2.267928 1.640479
H 4.215742 -2.948062 1.897866
H -4.170993 -3.011841 -1.887374
H 2.803892 -0.851076 -1.625988
H -2.777642 -0.887115 1.627127
H 2.828918 0.709936 0.639899
H -2.834373 0.668522 -0.644622
H 6.997035 0.152818 -0.456930
H -6.989029 0.052594 0.471655
H 3.137728 3.214283 0.522042
H -3.179766 3.168273 -0.532137
H 7.295921 2.679631 -0.571337
H -7.324891 2.574990 0.580475


