%chk=000016078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016078

0 1
 O  -0.5787000      -1.991900      0.4990000    
 O  -0.3951000       2.695700     -0.8292000    
 C   -2.762600     -0.9279000      0.1684000    
 C   -2.120800      0.3156000     -0.4942000    
 C   -1.890000      -2.182700     -7.3700003E-02
 C   -4.225500      -1.035500     -0.2831000    
 C  -0.6628000      0.3922000     -8.1000000E-02
 C   -5.023800      0.1842000      0.1928000    
 C   -2.965300       1.542900     -0.2199000    
 C   -4.273100       1.488100      9.3099996E-02
 C   1.3000000E-03 -0.7572000      0.3763000    
 C   -2.478400      -3.492100      0.4747000    
 C   -1.630700      -2.388600      -1.576900    
 C   8.9000002E-02   1.570600     -0.2281000    
 C    1.349800     -0.7035000      0.7501000    
 C   -5.078900       2.725800      0.3636000    
 C    2.065100      0.4844000      0.6346000    
 C    1.437000       1.619300      0.1358000    
 C    3.503500      0.5330000       1.023200    
 C    4.482200      0.1832000     -0.1131000    
 C    5.944700      0.1800000      0.3428000    
 C    6.881600     -0.1965000     -0.8055000    
 C    8.331600     -0.2391000     -0.3500000    
 H   -2.767800     -0.7687000       1.259900    
 H   -2.123900      0.2077000      -1.587400    
 H   -4.702700      -1.936100      0.1170000    
 H   -4.283100      -1.102300      -1.376500    
 H   -5.310200      3.3900000E-02   1.241500    
 H   -5.952300      0.2416000     -0.3877000    
 H   -2.538400       2.533700     -0.2992000    
 H   -2.707100      -3.385500       1.540900    
 H   -3.391000      -3.790400     -4.9600001E-02
 H   -1.752900      -4.310000      0.3960000    
 H   -1.044700      -3.303800      -1.733900    
 H   -2.563100      -2.500900      -2.139100    
 H   -1.036200      -1.599400      -2.045900    
 H    1.841800      -1.601800       1.117400    
 H   -5.501700       2.689000       1.372800    
 H   -5.900600       2.808300     -0.3551000    
 H   -4.477500       3.637900      0.2882000    
 H    2.008400       2.536500      1.0500000E-02
 H    3.743900       1.531700       1.411600    
 H    3.671400     -0.1492000       1.867300    
 H    4.355900      0.8995000     -0.9348000    
 H    4.227500     -0.8046000     -0.5182000    
 H   0.2871000       3.388200     -0.8427000    
 H    6.211100       1.171300      0.7286000    
 H    6.067900     -0.5326000       1.167300    
 H    6.780400      0.5287000      -1.621300    
 H    6.603700      -1.177900      -1.207100    
 H    8.472200     -0.9806000      0.4429000    
 H    8.983900     -0.5086000      -1.186500    
 H    8.651900      0.7361000      3.0400001E-02


%chk=000016078-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016078

0 1
O -0.654493 -1.972416 0.560019
O -0.456655 2.646689 -1.057687
C -2.819791 -0.931250 0.069538
C -2.165747 0.336843 -0.546137
C -1.959433 -2.195996 -0.172102
C -4.287003 -1.013168 -0.404352
C -0.681887 0.404117 -0.173846
C -5.092378 0.175323 0.176770
C -2.994544 1.556705 -0.135750
C -4.316678 1.488064 0.181077
C -0.024415 -0.728335 0.386545
C -2.528170 -3.444591 0.517736
C -1.634360 -2.472756 -1.654521
C 0.133845 1.546535 -0.389199
C 1.324917 -0.683594 0.813147
C -5.110400 2.719740 0.575799
C 2.089727 0.488850 0.647905
C 1.483209 1.606431 0.022285
C 3.551653 0.534275 1.067434
C 4.524107 0.135013 -0.077636
C 6.006166 0.173903 0.355813
C 6.983414 -0.218783 -0.775900
C 8.462396 -0.181813 -0.333289
H -2.830024 -0.791337 1.171859
H -2.230299 0.257850 -1.656095
H -4.755895 -1.963798 -0.089461
H -4.322740 -0.980438 -1.511660
H -5.403863 -0.055478 1.218791
H -6.036351 0.306483 -0.391905
H -2.483005 2.523668 -0.139561
H -2.830293 -3.217884 1.555364
H -3.401520 -3.837794 -0.030839
H -1.754872 -4.231558 0.547955
H -1.037480 -3.397216 -1.742076
H -2.563490 -2.602366 -2.238952
H -1.054346 -1.648773 -2.103852
H 1.758207 -1.584295 1.259635
H -5.560211 2.599643 1.582328
H -5.950357 2.897673 -0.125760
H -4.478985 3.624892 0.589758
H 2.067272 2.522675 -0.143448
H 3.814858 1.553317 1.415191
H 3.716188 -0.147851 1.924321
H 4.369101 0.814035 -0.940527
H 4.264580 -0.882556 -0.432551
H 0.214549 3.362941 -1.181263
H 6.257901 1.192872 0.718940
H 6.154054 -0.507923 1.219683
H 6.836465 0.464208 -1.637465
H 6.729725 -1.235471 -1.139260
H 8.642266 -0.880813 0.505318
H 9.140671 -0.463817 -1.159604
H 8.748417 0.831028 0.008489


