%chk=000086739.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086739

0 1
 O    2.942600      -1.156100     -0.4992000    
 O    3.677900      0.7339000      0.6071000    
 C   0.3158000      8.8100001E-02 -0.1267000    
 C  -0.7348000       1.179900     -0.4650000    
 C   -1.310300      -1.599500      2.1700000E-02
 C  -8.1900001E-02  -1.211700     -0.8183000    
 C   0.2767000     -0.3099000       1.371000    
 C    1.604000      0.7563000     -0.6113000    
 C   -2.538800     -0.6425000     -0.2282000    
 C  -0.7327000      -1.465900       1.445500    
 C  -4.8400000E-02   2.462000      2.8899999E-02
 C   -2.131300      0.8282000      2.5599999E-02
 C    1.451800       2.225400     -0.1941000    
 C   -3.720000      -1.119900      0.6546000    
 C   -3.018100     -0.7709000      -1.694100    
 C    2.862300      0.1406000     -8.5699998E-02
 C   -2.920200       1.731000      0.6334000    
 C    4.105300      -1.869000     -6.5300003E-02
 H  -0.8064000       1.265200      -1.560600    
 H   -1.601900      -2.637200     -0.1792000    
 H   0.6838000      -1.989200     -0.7270000    
 H  -0.2944000      -1.090700      -1.883300    
 H  -2.1600001E-02  0.5138000       2.027200    
 H    1.244300     -0.6702000       1.735600    
 H    1.660500      0.7224000      -1.708500    
 H  -0.1996000      -2.388200       1.709600    
 H   -1.480200      -1.300900       2.224300    
 H  -0.2333000       2.642300       1.094200    
 H  -0.3984000       3.343800     -0.5184000    
 H    1.832300       2.883500     -0.9840000    
 H    1.997200       2.480500      0.7211000    
 H   -4.657300     -0.6211000      0.3805000    
 H   -3.886900      -2.196800      0.5344000    
 H   -3.551000     -0.9279000       1.718700    
 H   -2.284400     -0.4028000      -2.417300    
 H   -3.234700      -1.815700      -1.944800    
 H   -3.936600     -0.1947000      -1.859900    
 H   -3.916800       1.488500      0.9823000    
 H   -2.602600       2.756100      0.7882000    
 H    5.009800      -1.390500     -0.4529000    
 H    4.048000      -2.885900     -0.4624000    
 H    4.131700      -1.919600       1.027300    


%chk=000086739-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086739

0 1
O 3.259142 -1.039668 -0.780628
O 3.507931 0.430022 1.005760
C 0.291853 0.032229 -0.079724
C -0.749620 1.142755 -0.470511
C -1.410576 -1.620014 0.111515
C -0.137726 -1.304253 -0.721730
C 0.212220 -0.286063 1.448555
C 1.616924 0.699628 -0.581300
C -2.602541 -0.639620 -0.228600
C -0.870178 -1.415344 1.563946
C -0.069058 2.463191 -0.032757
C -2.145323 0.814554 0.051575
C 1.463704 2.213063 -0.228579
C -3.847771 -1.047728 0.599714
C -2.996964 -0.775509 -1.734236
C 2.873456 0.071379 -0.014005
C -2.908722 1.730960 0.703646
C 4.454401 -1.770329 -0.293809
H -0.787993 1.140671 -1.583989
H -1.767221 -2.655588 -0.050289
H 0.629122 -2.086663 -0.561885
H -0.310605 -1.225466 -1.809334
H -0.063354 0.606284 2.037147
H 1.189746 -0.631899 1.829441
H 1.647873 0.560804 -1.679098
H -0.409461 -2.354647 1.922507
H -1.665780 -1.150148 2.280687
H -0.287611 2.673262 1.030432
H -0.430778 3.328332 -0.616046
H 1.886788 2.843829 -1.030589
H 2.025349 2.436975 0.694828
H -4.729692 -0.440096 0.326283
H -4.099904 -2.105769 0.397481
H -3.684604 -0.936642 1.685847
H -2.204336 -0.430292 -2.418950
H -3.217844 -1.832308 -1.978870
H -3.902005 -0.176743 -1.943448
H -3.905326 1.494855 1.090025
H -2.558198 2.755638 0.869238
H 5.332587 -1.102917 -0.284409
H 4.590181 -2.594541 -1.008106
H 4.283312 -2.151482 0.727264


