%chk=000065954.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065954

0 1
 O    5.392800      0.3944000     -0.6535000    
 N   -1.795000       2.784000      0.5888000    
 N  -0.8255000      -1.493400      -1.173200    
 N   -3.001500     -0.8588000     -0.8310000    
 N   0.7994000      -4.001300      0.6964000    
 C  -8.7700002E-02   1.462700     -1.0400000E-02
 C   -1.335700      0.7678000     -0.2412000    
 C   -2.369900       1.622700      0.1440000    
 C  -0.4261000       2.716900      0.5078000    
 C    1.307800       1.165200     -0.1849000    
 C   -1.699100     -0.4938000     -0.7352000    
 C   -3.715900       1.277300      5.8100000E-02
 C    2.272500       2.148200      0.1726000    
 C   0.5162000       3.685900      0.8602000    
 C   -1.197000      -2.878000      -1.273200    
 C   -1.541700      -3.446100      0.1031000    
 C    1.864400       3.382200      0.6850000    
 C    1.764900     -6.8000004E-02 -0.6987000    
 C  -0.4187000      -3.333600       1.138700    
 C   -3.956300      1.1400000E-02 -0.4424000    
 C    3.638700       1.870600      7.4999998E-03
 C   -4.835600       2.169500      0.4630000    
 C    3.129200     -0.3215000     -0.8542000    
 C    4.063700      0.6449000     -0.5020000    
 C   0.5679000      -5.436900      0.5261000    
 C    1.887900      -3.772300       1.648400    
 H   -2.303400       3.586900      0.9322000    
 H   0.2127000       4.648500       1.259400    
 H   -2.046400      -3.004600      -1.955200    
 H  -0.3665000      -3.438100      -1.716800    
 H  -0.2300000      -1.165500      -1.928800    
 H   -1.864100      -4.487300     -1.3000000E-02
 H   -2.420100      -2.936500      0.5169000    
 H    2.600700       4.136100      0.9594000    
 H  -0.7716000      -3.750100       2.091800    
 H  -0.2146000      -2.272100       1.325500    
 H    1.165600     -0.9270000     -0.8675000    
 H   -4.971300     -0.3603000     -0.5513000    
 H    4.386100       2.615100      0.2779000    
 H   -4.488000       3.142300      0.8220000    
 H   -5.501000       2.349200     -0.3879000    
 H   -5.414200       1.705400       1.268500    
 H    3.449900      -1.292600      -1.223500    
 H   0.1508000      -5.902200       1.426700    
 H  -9.0200000E-02  -5.648800     -0.3217000    
 H    1.509700      -5.948000      0.2921000    
 H    1.661400      -4.178000       2.641200    
 H    2.816100      -4.231400       1.290300    
 H    2.090400      -2.700200       1.751000    
 H    5.505800     -0.4999000      -1.018800    


%chk=000065954-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065954

0 1
O 5.487169 0.464727 -0.044330
N -1.868959 3.083457 0.147272
N -0.982619 -1.508038 -0.740859
N -3.157018 -0.860206 -0.174105
N 0.879230 -4.273172 0.379736
C -0.130736 1.578606 -0.023247
C -1.400508 0.845140 -0.063944
C -2.449166 1.816238 0.091675
C -0.475499 2.965131 0.058129
C 1.275821 1.230322 0.001138
C -1.840605 -0.509263 -0.307962
C -3.826809 1.484548 0.183046
C 2.252328 2.310346 -0.074925
C 0.475171 4.020355 0.025112
C -1.427906 -2.882143 -1.022993
C -1.603965 -3.743917 0.249840
C 1.822741 3.685537 -0.076370
C 1.785902 -0.098432 0.162829
C -0.335921 -3.841651 1.120156
C -4.091241 0.105868 0.083586
C 3.649178 2.009377 -0.097966
C -4.907959 2.525740 0.378262
C 3.157938 -0.371839 0.153517
C 4.096676 0.690134 -0.007959
C 0.760771 -5.628376 -0.197014
C 2.091925 -4.148958 1.214666
H -2.380160 3.958141 0.237478
H 0.154230 5.067009 0.065890
H -2.393017 -2.846073 -1.560822
H -0.664880 -3.337642 -1.678512
H -0.044495 -1.245886 -1.034586
H -1.951703 -4.750197 -0.057215
H -2.413221 -3.301454 0.859181
H 2.584389 4.471394 -0.127132
H -0.546163 -4.521277 1.987906
H -0.123296 -2.840244 1.541730
H 1.099915 -0.923230 0.371923
H -5.121320 -0.258274 0.189738
H 4.383500 2.818071 -0.168924
H -4.758226 3.114042 1.305930
H -4.952790 3.241966 -0.466919
H -5.899271 2.045882 0.451122
H 3.508044 -1.404284 0.283507
H 0.595914 -6.421773 0.576689
H -0.079537 -5.670919 -0.910586
H 1.685310 -5.875998 -0.749280
H 2.090629 -4.830403 2.104094
H 2.988184 -4.383840 0.610936
H 2.182716 -3.112794 1.588693
H 5.686806 -0.500850 0.032069


