%chk=000039086.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039086

0 1
 O   0.2085000      -1.089600     -0.5858000    
 O   -2.184100      -1.999600      0.2474000    
 O    6.387100     -0.1271000      0.6568000    
 N   -3.119900      0.1300000      0.2078000    
 C   -4.446600     -0.2331000      0.6409000    
 C   -5.368200     -0.5081000     -0.5404000    
 C   -5.146500      0.9173000       1.354700    
 C   -5.835700      0.8729000     -0.9918000    
 C   -5.733100       1.777400      0.2365000    
 C   -2.094800     -0.7912000      4.6999998E-02
 C  -0.8140000     -0.1309000     -0.4169000    
 C    1.501900     -0.6706000     -0.3806000    
 C    1.842500      0.6494000     -0.6413000    
 C    2.447700      -1.574800      8.2300000E-02
 C    4.114000      0.1739000      3.0200001E-02
 C    3.155100       1.073800     -0.4348000    
 C    3.760300      -1.150400      0.2888000    
 C    5.482600      0.6170000      0.2446000    
 C    5.843000       2.063900     -4.5200001E-02
 H   -4.370200      -1.112100       1.290100    
 H   -6.235800      -1.089500     -0.2047000    
 H   -4.886000      -1.061400      -1.352500    
 H   -4.482400       1.492400       2.007700    
 H   -5.965300      0.5246000       1.970300    
 H   -6.854300      0.8402000      -1.391300    
 H   -5.183900       1.253400      -1.786900    
 H   -5.075900       2.627400      1.9800000E-02
 H   -6.708700       2.183900      0.5227000    
 H   -2.945700       1.101000     -3.6200002E-02
 H   -1.007600      0.3693000      -1.372800    
 H  -0.5599000      0.6119000      0.3512000    
 H    1.131800       1.371900      -1.030500    
 H    2.175200      -2.606600      0.2842000    
 H    3.384700       2.111300     -0.6557000    
 H    4.491100      -1.868500      0.6514000    
 H    5.682900       2.293000      -1.102100    
 H    6.905100       2.219400      0.1718000    
 H    5.270400       2.736400      0.5991000    


%chk=000039086-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039086

0 1
O -0.449926 0.611363 0.404576
O -2.907602 -0.117281 2.993130
O 5.284243 1.391503 -2.388331
N -3.065313 0.537059 0.751602
C -4.544566 0.579370 0.709034
C -5.160050 -0.842818 0.606715
C -5.019101 1.248197 -0.602123
C -5.014188 -1.230886 -0.893958
C -4.943636 0.123947 -1.682920
C -2.375446 0.192273 1.881428
C -0.844923 0.196146 1.762143
C 0.915314 0.681242 0.098072
C 1.950850 0.360986 1.011503
C 1.225001 1.103795 -1.221370
C 3.623556 0.885384 -0.721448
C 3.293236 0.465546 0.592649
C 2.563806 1.203140 -1.620548
C 5.037016 1.009326 -1.204878
C 6.177681 0.667147 -0.249449
H -4.891191 1.103039 1.617499
H -6.227247 -0.779885 0.892977
H -4.672508 -1.550008 1.297407
H -4.431253 2.147189 -0.863736
H -6.066493 1.572302 -0.463321
H -5.855010 -1.861873 -1.231346
H -4.089406 -1.814689 -1.051195
H -4.000214 0.189383 -2.256653
H -5.764349 0.220521 -2.415176
H -2.519000 0.768028 -0.083057
H -0.436879 0.895588 2.516814
H -0.473180 -0.824077 1.978797
H 1.726631 0.035591 2.031248
H 0.405469 1.346040 -1.904758
H 4.085689 0.215178 1.305623
H 2.829343 1.527090 -2.632174
H 6.152113 1.310891 0.649648
H 7.135702 0.815501 -0.770001
H 6.111127 -0.383047 0.091379


