%chk=000043835.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043835

0 1
 O    2.004400       2.122600      0.5618000    
 O    2.220400      -4.626200     -0.1145000    
 O    1.611900      -2.918700      -1.481300    
 C   -1.082300      0.1821000      0.2589000    
 C   0.7609000      -1.315400      0.7018000    
 C    1.151400       1.062500      0.5285000    
 C  -0.5982000      -1.109600      0.4643000    
 C  -0.2077000       1.268200      0.2908000    
 C    1.635700     -0.2295000      0.7340000    
 C   -2.492300      0.3959000      1.4000000E-02
 C    1.279600      -2.696500      0.9209000    
 C    3.351000       1.885500      0.1542000    
 C    3.921500       3.169100     -0.4289000    
 C   -2.983500      0.3801000      -1.291400    
 C   -3.360400      0.6172000       1.083200    
 C    5.353300       2.987900     -0.9001000    
 C   -4.342700      0.5859000      -1.527700    
 C   -4.719700      0.8228000      0.8469000    
 C    1.707500      -3.391000     -0.3569000    
 C   -5.210800      0.8072000     -0.4587000    
 H   -1.277000      -1.959700      0.4382000    
 H  -0.5747000       2.280100      0.1322000    
 H    2.684500     -0.4172000      0.9468000    
 H   0.5100000      -3.312200       1.402000    
 H    2.140800      -2.667100       1.599500    
 H    3.406300       1.109900     -0.6208000    
 H    3.938300       1.573700       1.025600    
 H    3.295100       3.504500      -1.264300    
 H    3.874300       3.966900      0.3219000    
 H   -2.320600      0.2088000      -2.136400    
 H   -2.994100      0.6326000       2.107100    
 H    5.739000       3.926300      -1.310600    
 H    5.416100       2.224400      -1.682100    
 H    6.003400       2.686800     -7.2499998E-02
 H   -4.725300      0.5736000      -2.544100    
 H   -5.395700      0.9952000       1.679200    
 H   -6.269100      0.9673000     -0.6426000    
 H    2.496700      -5.075600     -0.9416000    


%chk=000043835-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043835

0 1
O 1.971161 2.049803 -0.062147
O 1.569735 -4.305341 -1.186922
O 3.346525 -2.961434 -0.535117
C -1.167165 0.112668 0.121272
C 0.709183 -1.451517 0.448997
C 1.152048 0.922879 0.093798
C -0.675077 -1.205420 0.348334
C -0.238299 1.170802 -0.002891
C 1.636457 -0.386638 0.320610
C -2.633477 0.370653 0.012946
C 1.215332 -2.871525 0.725213
C 3.433943 1.855807 -0.005202
C 4.076940 3.225118 -0.235733
C -3.504043 -0.592217 -0.568612
C -3.199689 1.586434 0.486360
C 5.618930 3.142654 -0.198451
C -4.890319 -0.349168 -0.672949
C -4.585233 1.832152 0.381108
C 2.170068 -3.349331 -0.357081
C -5.439011 0.865088 -0.198948
H -1.381105 -2.033085 0.476072
H -0.567214 2.193174 -0.212621
H 2.707544 -0.599855 0.381746
H 0.370140 -3.572336 0.799266
H 1.773286 -2.889157 1.680027
H 3.744449 1.132378 -0.787686
H 3.716336 1.445458 0.987052
H 3.737274 3.618123 -1.212051
H 3.711648 3.926284 0.537664
H -3.088128 -1.523494 -0.969709
H -2.553765 2.331112 0.965084
H 6.067553 4.138236 -0.362520
H 6.005878 2.465866 -0.983181
H 5.979402 2.768337 0.778153
H -5.540391 -1.101947 -1.133054
H -4.999981 2.773150 0.759892
H -6.515025 1.054940 -0.280269
H 2.212089 -4.570251 -1.901154


