%chk=000088948.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088948

0 1
 O    3.042100      -1.407800     -0.2612000    
 O    5.033700      -1.904400      0.7811000    
 O    1.675100       1.701200      0.5750000    
 O    2.795400      0.6373000       2.242200    
 C   -3.680600      -1.241500     -0.4361000    
 C   -4.693000     -0.2407000      0.1317000    
 C   -2.270100      -1.064300      0.1312000    
 C   -6.144000     -0.4206000     -0.3286000    
 C   -1.256000      -2.057000     -0.4462000    
 C   -7.094600      0.6437000      0.2253000    
 C   0.1602000      -1.865200      0.1022000    
 C   -8.526200      0.5147000     -0.3055000    
 C    1.137500      -2.863100     -0.5281000    
 C   -9.472900       1.592300      0.2246000    
 C    2.550900      -2.710400      2.0600000E-02
 C   -10.89420       1.373800     -0.2719000    
 C    4.302900      -1.135000      0.1766000    
 C    4.695800      0.2523000     -0.1779000    
 C    3.972000       1.351200      0.2852000    
 C    5.812600      0.4453000     -0.9911000    
 C    4.365100       2.642900     -6.5099999E-02
 C    6.205700       1.737100      -1.341200    
 C    5.482000       2.835800     -0.8782000    
 C    2.800700       1.182400       1.135300    
 H   -3.650900      -1.139100      -1.527600    
 H   -4.027500      -2.260000     -0.2227000    
 H   -4.668800     -0.2991000       1.227500    
 H   -4.362700      0.7727000     -0.1299000    
 H   -2.302100      -1.176900       1.221800    
 H   -1.927400     -4.2199999E-02 -7.1699999E-02
 H   -6.171800     -0.3921000      -1.424800    
 H   -6.496900      -1.414800     -2.8899999E-02
 H   -1.592600      -3.078800     -0.2315000    
 H   -1.237300      -1.952400      -1.538100    
 H   -6.709400       1.638300     -3.1500001E-02
 H   -7.106700      0.5819000       1.320300    
 H   0.4883000     -0.8400000     -0.1030000    
 H   0.1526000      -1.991900       1.191300    
 H   -8.915200     -0.4750000     -3.5100002E-02
 H   -8.509200      0.5585000      -1.401600    
 H    1.154500      -2.701500      -1.612900    
 H   0.7906000      -3.887500     -0.3503000    
 H   -9.123700       2.581600     -9.2600003E-02
 H   -9.469800       1.582200       1.320700    
 H    2.550700      -2.877300       1.104300    
 H    3.202900      -3.454500     -0.4516000    
 H   -11.28200      0.4056000      6.0800001E-02
 H   -11.55500       2.155400      0.1157000    
 H   -10.93650       1.404200      -1.365300    
 H    6.384200     -0.4026000      -1.359700    
 H    3.813700       3.509700      0.2906000    
 H    7.075200       1.887400      -1.974400    
 H    5.788700       3.841600      -1.150200    
 H   0.8909000       1.580600       1.152000    


%chk=000088948-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088948

0 1
O 3.083700 -1.460192 -0.279950
O 5.211119 -2.077372 0.457416
O 1.907055 2.205365 1.066043
O 2.694611 0.223662 1.978603
C -3.719148 -1.223589 -0.416695
C -4.708495 -0.169434 0.129272
C -2.275413 -1.033640 0.100474
C -6.156603 -0.367874 -0.372324
C -1.281404 -2.079202 -0.453455
C -7.143607 0.689444 0.172191
C 0.152781 -1.899344 0.090913
C -8.594578 0.486496 -0.319228
C 1.149012 -2.924292 -0.495485
C -9.579891 1.545490 0.226305
C 2.560674 -2.815189 0.079469
C -11.028286 1.332813 -0.264607
C 4.404746 -1.204065 0.057761
C 4.767724 0.228395 -0.216998
C 3.973351 1.335907 0.201592
C 5.948781 0.461248 -0.959595
C 4.347751 2.648648 -0.182962
C 6.321627 1.772534 -1.326485
C 5.510652 2.867508 -0.950227
C 2.834668 1.152061 1.149681
H -3.719486 -1.185982 -1.526329
H -4.075912 -2.238054 -0.140562
H -4.698772 -0.199277 1.239258
H -4.357736 0.844483 -0.156840
H -2.275199 -1.080889 1.209839
H -1.921207 -0.016181 -0.168129
H -6.167459 -0.341516 -1.482269
H -6.508493 -1.380377 -0.082964
H -1.646029 -3.098321 -0.204681
H -1.265817 -2.016672 -1.561932
H -6.795322 1.701639 -0.122977
H -7.126907 0.667563 1.282285
H 0.513371 -0.877756 -0.136590
H 0.144165 -1.988272 1.197078
H -8.944847 -0.524599 -0.022792
H -8.613837 0.507856 -1.429246
H 1.196382 -2.815471 -1.596839
H 0.787686 -3.953621 -0.291742
H -9.231173 2.555136 -0.073064
H -9.557119 1.525854 1.335229
H 2.571644 -2.887442 1.183096
H 3.248454 -3.574752 -0.334293
H -11.411136 0.342767 0.047929
H -11.711652 2.102255 0.139812
H -11.083241 1.378809 -1.368875
H 6.562800 -0.396493 -1.251709
H 3.727338 3.487899 0.142505
H 7.235828 1.936685 -1.906569
H 5.790347 3.886070 -1.238652
H 1.199402 2.057280 1.749817


