%chk=000040450.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040450

0 1
 O    1.498000      -1.940900      0.5506000    
 O   -1.654300      -1.370900      -1.159300    
 C  -0.1873000       2.113500     -0.2772000    
 C    1.012400       1.145200     -0.4985000    
 C    1.913400      0.9173000      0.7269000    
 C  -0.9937000       2.191300      -1.590200    
 C   0.3264000       3.529200      5.2999999E-02
 C    3.038200     -7.8400001E-02  0.4368000    
 C   -1.132300       1.669800      0.8301000    
 C    2.550300      -1.480300      0.1115000    
 C   -1.803600      0.5528000      0.8687000    
 C    3.454800      -2.311400     -0.7608000    
 C   -2.475600     -0.5583000      0.9138000    
 C   -2.374100      -1.556200     -0.1804000    
 C   -3.172700      -2.822700     -2.5100000E-02
 H    1.634300       1.529400      -1.318700    
 H   0.6252000      0.1799000     -0.8461000    
 H    1.317200      0.5533000       1.570900    
 H    2.368000       1.864700       1.035900    
 H   -1.352500       1.208200      -1.912900    
 H   -1.867200       2.846400      -1.487400    
 H  -0.3775000       2.593300      -2.403200    
 H   0.8359000       3.565300       1.022200    
 H  -0.4977000       4.251900      9.4899997E-02
 H    1.031900       3.880200     -0.7088000    
 H    3.634200      0.2889000     -0.4065000    
 H    3.700800     -0.1561000       1.305900    
 H   -1.229600       2.324900       1.692700    
 H    3.567600      -1.830100      -1.735300    
 H    4.428800      -2.421500     -0.2777000    
 H    3.017800      -3.303200     -0.9063000    
 H   -3.114300     -0.7789000       1.760800    
 H   -3.944300      -2.715400      0.7421000    
 H   -2.502100      -3.640000      0.2521000    
 H   -3.669400      -3.051400     -0.9721000    


%chk=000040450-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040450

0 1
O 2.289408 -0.202236 2.068689
O -0.500262 -2.300576 -0.973700
C -0.040632 2.256391 -0.152600
C 1.170045 1.919688 -1.096136
C 2.410298 1.230195 -0.461961
C -1.241843 2.682138 -1.034131
C 0.338944 3.415140 0.809898
C 2.327881 -0.316599 -0.382636
C -0.395220 1.029202 0.710159
C 2.354809 -0.913631 1.026302
C -1.301018 0.104378 0.439555
C 2.412514 -2.432146 1.098516
C -2.145362 -0.892759 0.131252
C -1.704991 -2.104805 -0.625184
C -2.797606 -3.119116 -0.946808
H 1.482659 2.884016 -1.547470
H 0.795901 1.290005 -1.928190
H 2.596493 1.627892 0.554235
H 3.295095 1.506660 -1.065678
H -1.575239 1.850938 -1.682290
H -2.098575 2.997492 -0.411227
H -0.957126 3.529653 -1.685233
H 1.210877 3.151957 1.435659
H -0.500724 3.657363 1.486864
H 0.590170 4.325939 0.234858
H 1.394814 -0.701002 -0.846497
H 3.145707 -0.793758 -0.960297
H 0.209353 0.904208 1.624229
H 1.574766 -2.855996 0.511962
H 3.348761 -2.807271 0.642509
H 2.353604 -2.772149 2.143997
H -3.198633 -0.854741 0.443609
H -3.615454 -2.641747 -1.518823
H -3.243319 -3.510902 -0.012364
H -2.379096 -3.954019 -1.528669


