%chk=000058876.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058876

0 1
 O  -0.5778000     -0.6678000     -0.3075000    
 O  -0.3517000     -0.2212000      -2.555800    
 O    2.256100      0.1819000      -2.342900    
 N   -3.775300      0.7889000     -0.2378000    
 C   -2.634400      -1.280100      0.8438000    
 C   -1.966500     -0.9157000     -0.4945000    
 C   -4.116500      -1.558700      0.5558000    
 C   -2.566400     -5.8699999E-02   1.777300    
 C   -2.636500      0.3434000      -1.073600    
 C   -4.743900     -0.3227000     -0.1107000    
 C   -3.266400       1.134400       1.107200    
 C   0.1269000     -0.3246000      -1.432400    
 C    1.598100     -8.0200002E-02  -1.100100    
 C    1.736400       1.155900     -0.2133000    
 C    2.202200      -1.303000     -0.5319000    
 C    1.783600      0.9877000       1.152800    
 C    1.809500       2.394300     -0.8114000    
 C    1.910200       2.116200       1.962800    
 C    1.936300       3.522800     -1.4000000E-03
 C    2.692500      -2.300100     -7.4500002E-02
 C    1.986600       3.383700       1.385700    
 C    3.289200      -3.515100      0.4919000    
 C    3.307900      -3.461100       2.010200    
 H   -2.143300      -2.139600       1.311800    
 H   -2.078300      -1.760900      -1.186900    
 H   -4.644700      -1.790500       1.488300    
 H   -4.217700      -2.430400     -0.1014000    
 H   -1.523900      0.1948000       2.001900    
 H   -3.054900     -0.2889000       2.731800    
 H   -1.946400       1.189600      -1.176200    
 H   -3.007100      0.1320000      -2.084800    
 H   -5.133300     -0.5887000      -1.101400    
 H   -5.615200      1.0400000E-02  0.4669000    
 H   -4.093500       1.485300       1.737000    
 H   -2.573000       1.981700       1.035400    
 H    2.175000     -0.6076000      -2.905800    
 H    1.705200      1.8600000E-02   1.634000    
 H    1.756900       2.529200      -1.887000    
 H    1.943700       2.008700       3.043000    
 H    1.991700       4.510300     -0.4502000    
 H    2.082900       4.262700       2.016400    
 H    4.312600      -3.634600      0.1194000    
 H    2.721900      -4.393900      0.1661000    
 H    3.755200      -4.373000       2.418000    
 H    3.891100      -2.605700       2.368500    
 H    2.294300      -3.368200       2.415200    


%chk=000058876-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058876

0 1
O -0.592689 -0.537276 -0.374054
O -0.144866 -0.625349 -2.659869
O 2.415930 0.130170 -2.350677
N -3.858078 0.897689 -0.178561
C -2.666859 -1.237214 0.716084
C -2.054300 -0.807483 -0.630301
C -4.171870 -1.535514 0.457731
C -2.540075 -0.084603 1.750579
C -2.786168 0.489033 -1.126340
C -4.854558 -0.209123 -0.048393
C -3.254437 1.186568 1.161056
C 0.222290 -0.461823 -1.468654
C 1.720579 -0.168612 -1.092207
C 1.800041 1.082803 -0.195669
C 2.268036 -1.387823 -0.458869
C 1.860240 0.978288 1.212875
C 1.758188 2.360477 -0.802949
C 1.874166 2.144305 2.010507
C 1.772508 3.525104 -0.004119
C 2.744745 -2.421136 0.017968
C 1.827223 3.421674 1.405393
C 3.328753 -3.642739 0.599738
C 3.559547 -3.536890 2.131254
H -2.151412 -2.141487 1.084036
H -2.103372 -1.617087 -1.381495
H -4.634199 -1.890138 1.397530
H -4.281916 -2.348736 -0.285542
H -1.474784 0.119015 1.954821
H -3.009437 -0.401123 2.700755
H -2.058623 1.316462 -1.211865
H -3.230345 0.324821 -2.123118
H -5.330042 -0.357490 -1.034868
H -5.640218 0.126355 0.651564
H -4.063030 1.539638 1.825889
H -2.539071 2.018526 1.035255
H 1.904648 -0.323459 -3.078630
H 1.902408 -0.011757 1.679190
H 1.747996 2.429621 -1.894750
H 1.926923 2.056469 3.101690
H 1.748602 4.511476 -0.480956
H 1.841198 4.325807 2.024645
H 4.292450 -3.854280 0.095831
H 2.668310 -4.505530 0.382882
H 4.004328 -4.471947 2.516241
H 4.243288 -2.703243 2.366835
H 2.607251 -3.360939 2.661235


