%chk=000060774.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060774

0 1
 O  -0.4174000      -1.001600      -2.249800    
 N   -2.487100      0.4375000     -5.7799999E-02
 C   -1.754900      0.1288000       1.165900    
 C  -0.4223000      0.8864000       1.190600    
 C   0.4862000      0.5307000     -1.5500000E-02
 C   -2.765500       1.871800     -0.1430000    
 C   -3.733900     -0.3268000     -0.1181000    
 C   0.7542000     -0.9620000     -0.1600000    
 C    1.785300       1.330400     -4.3699998E-02
 C   -3.605800       2.319400       1.049800    
 C   -3.476400       2.174000      -1.458300    
 C   -4.621300      1.3400000E-02   1.075900    
 C   -3.414100      -1.817800     -0.1558000    
 C    1.467200      -1.595900      0.8374000    
 C   0.2857000      -1.634600      -1.269600    
 C    2.365500       1.610300      -1.261900    
 C    2.334700       1.745300       1.150000    
 C    1.722200      -2.962200      0.7196000    
 C   0.5408000      -3.000800      -1.387500    
 C    1.259000      -3.664800     -0.3928000    
 C    3.553500       2.341000      -1.287800    
 C    3.522500       2.476100       1.124200    
 C    4.131900       2.773900     -9.4700001E-02
 C    2.490000      -3.672300       1.782700    
 H   -2.250000      0.3347000       2.115300    
 H   -1.508200     -0.9358000       1.216800    
 H   5.9799999E-02  0.5744000       2.126800    
 H  -0.5521000       1.969300       1.295100    
 H  -4.9699999E-02  0.9113000     -0.8915000    
 H   -1.838400       2.450900     -0.1865000    
 H   -4.280600     -0.1421000      -1.048200    
 H   -3.326200       3.380000       1.181600    
 H   -4.673600       2.442700      0.8575000    
 H   -3.375000       1.945900       2.046500    
 H   -2.968000       1.704600      -2.308400    
 H   -3.462000       3.255900      -1.638900    
 H   -4.531100       1.881200      -1.471300    
 H   -5.263100     -0.8708000       1.231900    
 H   -4.184900      0.1117000       2.068500    
 H   -5.392900      0.7514000      0.8526000    
 H   -2.665000      -2.054400     -0.9171000    
 H   -4.317200      -2.379800     -0.4252000    
 H   -3.083900      -2.220800      0.8069000    
 H    1.824400      -1.061100       1.712000    
 H    1.923300       1.276800      -2.195700    
 H    1.907600       1.524400       2.120300    
 H   0.1817000      -3.553900      -2.251100    
 H    1.449100      -4.729900     -0.4956000    
 H    4.028300       2.572300      -2.236800    
 H    3.975600       2.810100       2.053100    
 H    5.057300       3.341900     -0.1146000    
 H    3.008600      -4.549300       1.380500    
 H    3.254900      -3.019500       2.217100    
 H    1.813900      -4.000800       2.578200    
 H   -1.059600     -0.3992000      -1.839900    


%chk=000060774-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060774

0 1
O -1.194654 -0.951888 -1.607760
N -2.655313 0.365473 0.080751
C -1.846488 0.247315 1.348858
C -0.469998 0.949197 1.346713
C 0.481683 0.631221 0.156219
C -2.786246 1.783924 -0.449616
C -3.972650 -0.406181 0.169961
C 0.706442 -0.874110 -0.045376
C 1.808244 1.404287 0.240644
C -3.684935 2.727922 0.385314
C -3.205766 1.772935 -1.937700
C -4.732190 -0.262233 1.515754
C -3.761867 -1.905241 -0.150777
C 1.747574 -1.574491 0.608579
C -0.136990 -1.582405 -0.958573
C 2.634459 1.448546 -0.915324
C 2.258074 2.073482 1.406522
C 1.996300 -2.949774 0.375289
C 0.125306 -2.949349 -1.228353
C 1.177367 -3.619946 -0.571130
C 3.865044 2.136403 -0.909041
C 3.494381 2.763192 1.419453
C 4.303252 2.798950 0.263180
C 3.103929 -3.683757 1.114232
H -2.416448 0.640287 2.215935
H -1.697588 -0.835003 1.518076
H 0.016707 0.638031 2.292710
H -0.602717 2.047929 1.415122
H -0.022756 0.977815 -0.769816
H -1.758659 2.188991 -0.414003
H -4.608635 0.019303 -0.627514
H -3.586435 3.759910 0.001045
H -4.751044 2.447723 0.311486
H -3.396139 2.739417 1.452183
H -2.569465 1.085517 -2.521730
H -3.096087 2.789342 -2.357388
H -4.261898 1.476729 -2.074695
H -5.741641 -0.698149 1.400586
H -4.227982 -0.817789 2.326771
H -4.851623 0.786166 1.833751
H -3.308982 -2.045568 -1.145278
H -4.736401 -2.426462 -0.118111
H -3.100490 -2.389851 0.591394
H 2.405273 -1.022204 1.292796
H 2.305975 0.925201 -1.821755
H 1.650341 2.067163 2.317424
H -0.511398 -3.464465 -1.955379
H 1.364586 -4.678356 -0.793237
H 4.483037 2.156518 -1.814097
H 3.822518 3.272290 2.333293
H 5.259627 3.333990 0.272021
H 3.475475 -4.545155 0.530779
H 3.962242 -3.019351 1.321553
H 2.751871 -4.076213 2.089115
H -1.803223 -0.354930 -0.921154


