%chk=000086455.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086455

0 1
 O    3.636700      -2.225500     -0.9457000    
 O   -1.712700      -1.197900      -1.190900    
 N    3.618800     -5.3900000E-02 -2.6000001E-02
 C    2.217100       1.937100     -0.2903000    
 C    1.494900       3.057700      0.4581000    
 C    2.943700       1.005700      0.6723000    
 C   0.7347000       3.969500     -0.5046000    
 C    3.066700      -1.313600     -0.3477000    
 C   4.2500000E-02   5.104700      0.2330000    
 C    5.002100      0.2097000     -0.4362000    
 C    1.683400      -1.579200      7.8400001E-02
 C   0.6361000      -1.256400     -0.7708000    
 C    1.451800      -2.147800       1.321500    
 C  -0.6751000      -1.508600     -0.3670000    
 C   0.1408000      -2.399800       1.725300    
 C  -0.9227000      -2.080300      0.8811000    
 C   -2.806800     -0.5565000     -0.6345000    
 C   -2.598900      0.4998000      0.2337000    
 C   -4.079200     -0.9895000     -0.9613000    
 C   -3.700900       1.145200      0.7946000    
 C   -5.181100     -0.3440000     -0.4004000    
 C   -4.992000      0.7233000      0.4776000    
 H    1.495500       1.381400     -0.8966000    
 H    2.935000       2.375800     -0.9943000    
 H   0.7926000       2.624600       1.181000    
 H    2.223700       3.647100       1.027800    
 H    2.227100      0.5864000       1.384900    
 H    3.678800       1.563100       1.265400    
 H    1.426200       4.391000      -1.243400    
 H  -1.4000000E-02   3.387900      -1.055000    
 H  -0.4953000       5.743800     -0.4742000    
 H  -0.6801000       4.717500      0.9584000    
 H   0.7682000       5.725500      0.7680000    
 H    5.603300      0.3920000      0.4592000    
 H    5.430800     -0.6331000     -0.9839000    
 H    5.019900       1.094900      -1.077900    
 H   0.8262000     -0.8184000      -1.747200    
 H    2.274700      -2.400400       1.984300    
 H  -5.1500000E-02  -2.849600       2.694900    
 H   -1.931900      -2.309900       1.212500    
 H   -1.604600      0.8632000      0.4770000    
 H   -4.227700      -1.820400      -1.644200    
 H   -3.553800       1.980100       1.473500    
 H   -6.186500     -0.6723000     -0.6475000    
 H   -5.850100       1.226800      0.9132000    


%chk=000086455-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086455

0 1
O 3.920625 -2.343580 -0.178792
O -1.709677 -0.716998 -0.739763
N 3.572214 -0.037966 -0.048266
C 2.484129 2.215624 -0.524631
C 1.733125 3.395629 0.132593
C 2.857609 1.131185 0.512469
C 1.361397 4.511399 -0.870766
C 3.136722 -1.362218 0.042420
C 0.614012 5.688454 -0.207678
C 4.959450 0.204370 -0.488529
C 1.691229 -1.637649 0.392663
C 0.615581 -0.979386 -0.249707
C 1.420643 -2.687108 1.308108
C -0.712570 -1.360733 0.035682
C 0.087011 -3.047492 1.593663
C -0.993663 -2.392490 0.960436
C -3.017503 -0.502336 -0.233055
C -3.273004 -0.159856 1.115789
C -4.060020 -0.545002 -1.184615
C -4.598874 0.130741 1.508199
C -5.378926 -0.247348 -0.777991
C -5.655620 0.087480 0.568748
H 1.854629 1.769396 -1.319659
H 3.397780 2.597280 -1.021897
H 0.808402 3.020308 0.618672
H 2.358414 3.827787 0.942235
H 1.947634 0.780860 1.026186
H 3.509314 1.590854 1.287337
H 2.284659 4.885460 -1.358692
H 0.734927 4.081039 -1.678111
H 0.360792 6.472348 -0.944661
H -0.328835 5.346631 0.259182
H 1.230967 6.154664 0.583630
H 5.536053 0.709122 0.310990
H 5.425018 -0.767920 -0.710048
H 4.981324 0.837623 -1.394015
H 0.785752 -0.198888 -0.996826
H 2.259694 -3.221195 1.763627
H -0.119313 -3.858084 2.300826
H -2.025948 -2.694172 1.161648
H -2.454436 -0.109907 1.840605
H -3.822138 -0.805793 -2.220188
H -4.802202 0.399383 2.550835
H -6.189906 -0.280222 -1.513720
H -6.680069 0.315407 0.881167


