%chk=000055381.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055381

0 1
 O  -0.9578000       2.358000       1.343000    
 N   -2.789400       1.588300     -0.5631000    
 C    4.946200      1.8999999E-02  5.2999999E-02
 C    5.367400      -1.076200       1.049000    
 C    5.345300     -0.5087000      -1.340700    
 C    6.386300      -1.915000      0.2926000    
 C    5.829700      -1.937200      -1.120000    
 C    3.487300      0.3943000      0.1876000    
 C    2.498000     -0.5679000     -1.4600000E-02
 C    3.131000       1.703400      0.5120000    
 C    1.152400     -0.2212000      0.1077000    
 C    1.785500       2.050100      0.6345000    
 C   0.7962000       1.087800      0.4324000    
 C  -0.6066000       1.449700      0.5616000    
 C   -1.663700      0.7077000     -0.2711000    
 C   -3.826200      0.8698000      -1.305500    
 C   -4.310800     -0.3447000     -0.5590000    
 C   -2.343600       2.760300      -1.318200    
 C   -3.681800      -1.565600     -0.7585000    
 C   -5.380300     -0.2263000      0.3178000    
 C   -4.131000      -2.690800     -6.7000002E-02
 C   -5.829300      -1.351300       1.009400    
 C   -5.204700      -2.583500      0.8170000    
 H    5.558500      0.9097000      0.2511000    
 H    4.530800      -1.713400       1.358100    
 H    5.795700     -0.6477000       1.961600    
 H    6.174500      9.6500002E-02  -1.728700    
 H    4.542000     -0.4650000      -2.083300    
 H    6.493900      -2.918300      0.7144000    
 H    7.368000      -1.427100      0.3087000    
 H    6.578200      -2.239100      -1.858200    
 H    4.986900      -2.635400      -1.184000    
 H    2.754000      -1.592200     -0.2713000    
 H    3.889800       2.464800      0.6711000    
 H   0.4051000     -0.9956000     -4.1200001E-02
 H    1.527400       3.076200      0.8835000    
 H   -1.942300     -0.1277000      0.3777000    
 H   -1.211900      0.3290000      -1.195700    
 H   -3.468700      0.5677000      -2.300200    
 H   -4.682700       1.533000      -1.487100    
 H   -1.668800       3.406500     -0.7496000    
 H   -3.202600       3.392400      -1.573800    
 H   -1.845200       2.481500      -2.254300    
 H   -2.853500      -1.668600      -1.453900    
 H   -5.872800      0.7290000      0.4768000    
 H   -3.646700      -3.650900     -0.2191000    
 H   -6.665100      -1.267900       1.697900    
 H   -5.554800      -3.459700       1.354900    


%chk=000055381-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055381

0 1
O -0.903533 2.933805 0.575856
N -3.012664 1.720531 -0.895047
C 4.839441 -0.296568 0.326252
C 4.917164 -1.679644 1.041574
C 5.592130 -0.554080 -1.022921
C 6.357972 -2.151236 0.736144
C 6.601312 -1.719203 -0.743585
C 3.432681 0.264080 0.189634
C 2.435998 -0.419555 -0.559537
C 3.065626 1.477705 0.829794
C 1.126496 0.085901 -0.663219
C 1.757255 1.986935 0.733593
C 0.764135 1.298805 -0.013325
C -0.622033 1.878896 -0.063253
C -1.665632 1.142381 -0.920789
C -4.042248 0.776461 -1.386849
C -4.237868 -0.432739 -0.474244
C -3.106746 3.054462 -1.522848
C -4.560605 -1.700861 -1.017501
C -4.146123 -0.292799 0.934307
C -4.800350 -2.808764 -0.171659
C -4.379401 -1.398981 1.780739
C -4.710583 -2.660797 1.231586
H 5.440880 0.417525 0.924593
H 4.179810 -2.374136 0.593166
H 4.694412 -1.608879 2.121067
H 6.092861 0.364215 -1.377388
H 4.869929 -0.844914 -1.807494
H 6.496507 -3.236080 0.890873
H 7.067544 -1.629551 1.407018
H 7.648120 -1.407344 -0.907142
H 6.406965 -2.564630 -1.428789
H 2.687991 -1.360092 -1.064034
H 3.818891 2.022072 1.412531
H 0.387961 -0.474118 -1.246446
H 1.470152 2.918712 1.232472
H -1.728131 0.102559 -0.544188
H -1.249995 1.069337 -1.963370
H -3.835468 0.419466 -2.429924
H -4.992897 1.344318 -1.438422
H -2.417103 3.744076 -1.013046
H -4.133290 3.443167 -1.401215
H -2.866411 3.041488 -2.616601
H -4.625758 -1.822346 -2.106607
H -3.878552 0.688436 1.342646
H -5.050635 -3.783681 -0.605783
H -4.303932 -1.278045 2.867589
H -4.892473 -3.518594 1.889090


