%chk=000040510.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040510

0 1
 O   -3.056800      -1.872800      0.2850000    
 N   -2.302000       1.435600      5.0400000E-02
 C   -3.053700       2.536400      0.6523000    
 C   -3.238000      0.7980000     -0.8752000    
 C   -3.800800       3.127100     -0.5342000    
 C   -3.925100       1.983800      -1.536500    
 C   -1.784400      0.5072000       1.044500    
 C   -1.015300     -0.6175000      0.4174000    
 C   0.3674000     -0.5194000      0.1902000    
 C   -1.715500      -1.771800      6.5899998E-02
 C    1.048900      -1.605700     -0.4012000    
 C    1.086700      0.6360000      0.5388000    
 C    2.469700      0.7334000      0.3114000    
 C   0.3290000      -2.760700     -0.7492000    
 C   -1.044100      -2.842000     -0.5167000    
 C    2.431800      -1.508300     -0.6287000    
 C    3.151100     -0.3530000     -0.2802000    
 C    3.189600       1.888100      0.6599000    
 C    4.533900     -0.2549000     -0.5071000    
 C    4.562800       1.969400      0.4277000    
 C    5.234200      0.8992000     -0.1551000    
 C   -3.469300      -2.407900       1.540700    
 H   -2.397700       3.275000       1.123700    
 H   -3.772600       2.178800       1.400700    
 H   -4.009600      0.2218000     -0.3522000    
 H   -2.753500      0.1757000      -1.633200    
 H   -4.780600       3.515800     -0.2387000    
 H   -3.232600       3.951500     -0.9809000    
 H   -3.420100       2.255400      -2.471000    
 H   -4.971200       1.763600      -1.772500    
 H   -2.605100      0.1170000       1.658900    
 H   -1.176100       1.035600       1.786600    
 H   0.6002000       1.503800      0.9759000    
 H   0.8335000      -3.609700      -1.206000    
 H   -1.582100      -3.744500     -0.7940000    
 H    2.957700      -2.346900      -1.085200    
 H    2.685800       2.737500       1.116800    
 H    5.079200      -1.079600     -0.9616000    
 H    5.107200       2.868200      0.7020000    
 H    6.303200      0.9617000     -0.3362000    
 H   -2.826400      -2.076300       2.362700    
 H   -3.460700      -3.501000       1.489800    
 H   -4.492000      -2.074500       1.736800    


%chk=000040510-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040510

0 1
O -3.100482 -2.089107 1.095116
N -2.179282 1.544560 0.305078
C -2.954057 2.703647 0.818907
C -2.895074 1.126088 -0.928703
C -3.299896 3.514820 -0.458905
C -3.208325 2.473030 -1.627930
C -1.977194 0.473186 1.315521
C -1.165804 -0.705890 0.797671
C 0.222613 -0.547156 0.415528
C -1.740738 -1.985720 0.729955
C 1.002109 -1.712715 0.001840
C 0.864517 0.719660 0.431444
C 2.227817 0.870120 0.077115
C 0.356855 -2.995482 -0.035355
C -0.979949 -3.134671 0.312196
C 2.365962 -1.561673 -0.351361
C 3.005409 -0.299747 -0.320932
C 2.878917 2.156888 0.090233
C 4.391654 -0.128185 -0.677139
C 4.219269 2.285625 -0.260545
C 4.985682 1.129674 -0.647699
C -3.733478 -3.408488 1.060966
H -2.358758 3.278040 1.552402
H -3.895176 2.371517 1.330663
H -3.841989 0.580188 -0.684727
H -2.263410 0.454119 -1.534301
H -4.302656 3.970473 -0.381143
H -2.572672 4.330238 -0.613052
H -2.389845 2.743645 -2.316512
H -4.140501 2.415484 -2.216812
H -2.952332 0.096479 1.699808
H -1.440208 0.931985 2.171198
H 0.269657 1.604991 0.676345
H 0.937552 -3.872160 -0.345823
H -1.449217 -4.121808 0.271752
H 2.938255 -2.447135 -0.657213
H 2.294069 3.036736 0.383985
H 4.972404 -1.010031 -0.974497
H 4.701742 3.269317 -0.245145
H 6.040098 1.249977 -0.920390
H -3.241334 -4.115627 1.756651
H -3.736326 -3.833274 0.038450
H -4.769280 -3.232519 1.387859


