%chk=000002119.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002119

0 1
 O  -0.1762000     -0.2458000      -1.333000    
 O    1.840100      -1.676500      -2.605600    
 N    2.910900      0.4746000      0.2116000    
 C    2.134300     -0.4351000      -1.958500    
 C    2.622000     -0.7392000     -0.5400000    
 C    3.318400      0.1589000       1.574000    
 C   0.8831000      0.4399000      -1.993400    
 C    3.660100       1.448500       2.313500    
 C    2.212100     -0.6085000       2.292600    
 C   -1.109200      0.5293000     -0.6979000    
 C   -1.773300      5.5000000E-02  0.4290000    
 C   -1.487900      -1.305800      0.9732000    
 C   -1.383500       1.799300      -1.196500    
 C   -2.721000      0.8582000       1.063600    
 C   -2.330900       2.602600     -0.5618000    
 C   -2.999600       2.132000      0.5681000    
 C   -2.367900      -2.373600      0.3785000    
 C   -3.231400      -3.114000       1.082600    
 H    2.929000      5.6499999E-02  -2.532400    
 H    1.851600      -1.356100     -6.8499997E-02
 H    3.518500      -1.370100     -0.6022000    
 H    4.224600     -0.4601000       1.558000    
 H    3.643500       1.004500     -0.2594000    
 H    1.117300       1.407800      -1.533800    
 H   0.5818000      0.5975000      -3.035800    
 H    4.467200       1.991000       1.808400    
 H    3.995500       1.233600       3.333900    
 H    2.792900       2.115500       2.378600    
 H    2.132200      -1.647400       1.958900    
 H    1.237500     -0.1215000       2.175500    
 H    2.420800     -0.6538000       3.368200    
 H    2.657800      -2.202700      -2.615200    
 H   -1.587000      -1.288800       2.067000    
 H  -0.4417000      -1.580400      0.7948000    
 H  -0.9136000       2.193200      -2.092400    
 H   -3.251000      0.5040000       1.943900    
 H   -2.554300       3.591400     -0.9518000    
 H   -3.739000       2.756600       1.060900    
 H   -2.276600      -2.559200     -0.6891000    
 H   -3.830400      -3.873900      0.5929000    
 H   -3.356600      -2.976100       2.150800    


%chk=000002119-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002119

0 1
O -0.117894 -0.041942 -0.518542
O 1.272992 -1.685483 -2.440846
N 3.387872 0.138508 0.115332
C 1.903741 -0.541759 -1.760586
C 2.613025 -0.977379 -0.456317
C 3.582965 0.140345 1.593332
C 0.807019 0.493516 -1.525285
C 4.749300 1.089884 1.934700
C 2.286413 0.579022 2.309144
C -1.287368 0.683885 -0.239955
C -2.205973 0.033817 0.636504
C -1.900536 -1.359789 1.177773
C -1.561816 1.968772 -0.765825
C -3.400625 0.711213 0.962915
C -2.767988 2.620802 -0.419513
C -3.691458 1.996864 0.445242
C -1.971939 -2.437958 0.104219
C -2.779700 -3.525636 0.163986
H 2.655545 -0.070351 -2.435665
H 1.839291 -1.293850 0.262113
H 3.241016 -1.878489 -0.678758
H 3.853025 -0.882755 1.956981
H 4.276579 0.286777 -0.380389
H 1.272428 1.427846 -1.155367
H 0.264951 0.679575 -2.473129
H 5.698924 0.746272 1.480268
H 4.898209 1.146515 3.027177
H 4.531418 2.107595 1.560865
H 1.421436 -0.033403 1.998021
H 2.056182 1.630813 2.060679
H 2.397496 0.486533 3.405603
H 1.902725 -2.450838 -2.434790
H -2.602542 -1.602336 1.996718
H -0.876299 -1.361904 1.605003
H -0.851722 2.465060 -1.433628
H -4.117226 0.217816 1.630751
H -2.979318 3.615172 -0.828774
H -4.626323 2.499790 0.714196
H -1.306567 -2.287627 -0.757359
H -2.790711 -4.274421 -0.636601
H -3.456448 -3.699174 1.011008


