%chk=000094504.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094504

0 1
 O   -4.751700      0.3790000      0.6072000    
 O   -4.810000     -0.7772000      -1.370300    
 O    2.536400       3.330900       1.052300    
 O    3.256300       2.650700      -1.144600    
 O    2.334600      -1.724700       1.723500    
 O    3.166800      -2.840200     -0.6827000    
 C   -2.436600      0.6904000      0.8087000    
 C   -2.690000     -0.3741000     -0.2535000    
 C   -3.746700      0.7128000       1.570800    
 C   -2.150600       2.052900      0.1708000    
 C   -2.303400      -1.774000      0.2027000    
 C   -4.184000     -0.2932000     -0.4394000    
 C  -0.7017000       2.199400     -0.2171000    
 C  -0.8417000      -2.058100     -3.0200001E-02
 C   0.1973000       2.725900      0.7025000    
 C  -0.2958000       1.801300      -1.495200    
 C   7.8100003E-02  -1.757000      0.9634000    
 C  -0.4392000      -2.615100      -1.235000    
 C    1.512600       2.840700      0.3015000    
 C    1.042300       1.928000      -1.875900    
 C    1.923800       2.452400     -0.9530000    
 C    1.431000      -2.019100      0.7474000    
 C   0.9136000      -2.877200      -1.451100    
 C    1.848600      -2.579200     -0.4598000    
 C    3.638200       3.206900      0.1299000    
 C    1.825500      -1.154300       2.927400    
 C    3.646500      -4.127800     -0.3002000    
 H   -1.622900      0.4469000       1.497600    
 H   -2.227800     -0.1355000      -1.213900    
 H   -3.773500     -4.3900002E-02   2.362600    
 H   -3.978400       1.684600       2.016500    
 H   -2.392300       2.858000      0.8779000    
 H   -2.792900       2.237400     -0.7005000    
 H   -2.893100      -2.527300     -0.3379000    
 H   -2.552300      -1.937900       1.259600    
 H  -0.1118000       3.033400       1.695200    
 H   -1.008400       1.411300      -2.215800    
 H  -0.3040000      -1.340400       1.887700    
 H   -1.159100      -2.847900      -2.014500    
 H    1.369400       1.627400      -2.864700    
 H    1.232100      -3.312100      -2.394600    
 H    4.401200       2.561400      0.5799000    
 H    4.070600       4.200300     -3.5900000E-02
 H    1.360500     -0.1789000       2.747000    
 H    2.681300     -0.9798000       3.587800    
 H    1.156700      -1.846000       3.450700    
 H    3.515100      -4.284400      0.7752000    
 H    4.713600      -4.179000     -0.5331000    
 H    3.127700      -4.912100     -0.8605000    


%chk=000094504-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094504

0 1
O -5.000216 0.392537 0.657128
O -5.026317 -0.968344 -1.224404
O 2.816077 1.866808 0.290014
O 3.004501 1.844309 -2.099415
O 2.274450 -2.064477 2.328184
O 3.494752 -1.738784 -0.212519
C -2.606499 0.835468 0.845596
C -2.844847 -0.278299 -0.208100
C -3.962792 0.906007 1.600242
C -2.227818 2.206074 0.203997
C -2.275055 -1.686646 0.164151
C -4.371928 -0.353914 -0.366623
C -0.864043 2.175907 -0.471171
C -0.754772 -1.738941 0.090735
C 0.306395 2.071502 0.341190
C -0.739477 2.200290 -1.882200
C 0.025813 -1.908890 1.261807
C -0.093899 -1.606457 -1.153361
C 1.535417 1.959836 -0.304012
C 0.524638 2.097788 -2.532100
C 1.645758 1.959382 -1.713461
C 1.440541 -1.937230 1.203441
C 1.313325 -1.650711 -1.222457
C 2.093840 -1.814525 -0.059880
C 3.729232 1.516147 -0.834985
C 1.637279 -2.098593 3.646353
C 4.300743 -2.850475 0.337285
H -1.796865 0.543142 1.538586
H -2.416883 0.004894 -1.186609
H -3.989145 0.264494 2.499624
H -4.262354 1.931937 1.869612
H -2.233704 2.970435 1.006854
H -3.013006 2.496694 -0.520762
H -2.715831 -2.416302 -0.542384
H -2.622590 -1.968836 1.176872
H 0.244379 2.068930 1.433979
H -1.641261 2.302305 -2.497044
H -0.483349 -2.016994 2.225748
H -0.675502 -1.475269 -2.072959
H 0.613156 2.119502 -3.621309
H 1.838461 -1.550899 -2.177663
H 3.931174 0.429880 -0.799265
H 4.627608 2.147516 -0.770710
H 1.048637 -1.178799 3.828790
H 2.467982 -2.154960 4.365027
H 0.986143 -2.987275 3.758894
H 4.191679 -2.908567 1.432274
H 5.339946 -2.613893 0.061595
H 3.998124 -3.808104 -0.128184


