%chk=000009356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009356

0 1
 O   0.8478000      0.6168000      0.2307000    
 O   -2.257400      0.3681000       1.926300    
 O   -1.295200       1.664200      -1.376700    
 O   -4.278700       1.553000      0.3591000    
 O   -3.641000      -2.018600      0.3045000    
 O    2.638700       1.472500       1.404600    
 O   -6.539100     -2.8400000E-02 -0.4592000    
 O   -5.846100      -2.043100      -1.240400    
 N    4.250900     -0.3481000      3.1199999E-02
 C    4.491400      0.3611000      -1.227400    
 C    5.035600      -1.584100      7.3700003E-02
 C   -2.163900      0.4065000      0.5058000    
 C   -1.365200       1.647700      4.8900001E-02
 C   -3.594600      0.3746000     -7.6899998E-02
 C    2.832600     -0.6334000      0.1980000    
 C   5.4200001E-02   1.730000      0.6172000    
 C   -4.439800     -0.8441000      0.3399000    
 C    5.836000       1.081200      -1.180400    
 C    3.352400       1.343200      -1.482500    
 C    5.287900      -1.975700       1.526200    
 C    4.309900      -2.697500     -0.6762000    
 C    2.138000      0.6090000      0.6971000    
 C   -5.654500      -1.054800     -0.5437000    
 H    4.506300     -0.3238000      -2.084600    
 H    6.023400      -1.453100     -0.3803000    
 H   -1.637600     -0.4965000      0.1731000    
 H   -1.896200       2.553500      0.3660000    
 H   -3.532600      0.4134000      -1.171300    
 H    2.345400      -1.015600     -0.7082000    
 H    2.644600      -1.358800      0.9995000    
 H   2.0800000E-02   1.796600       1.710700    
 H   0.5352000       2.637900      0.2320000    
 H   -4.802800     -0.7252000       1.368300    
 H    5.980500       1.681600      -2.085800    
 H    6.685400      0.3952000      -1.119300    
 H    5.891300       1.763300     -0.3241000    
 H    3.287900       2.156700     -0.7556000    
 H    2.386500      0.8940000      -1.725100    
 H    3.596000       1.874600      -2.416000    
 H    4.369400      -2.218600       2.069800    
 H    5.796300      -1.168600       2.065800    
 H    5.935100      -2.858900       1.573500    
 H    3.426100      -3.081800     -0.1556000    
 H    4.027200      -2.420500      -1.696700    
 H    4.986700      -3.556100     -0.7746000    
 H   -1.373300      0.1665000       2.275900    
 H  -0.8281000       2.475600      -1.639400    
 H   -5.141500       1.576900     -8.8299997E-02
 H   -4.163300      -2.740500      0.6943000    
 H   -7.327400     -0.1774000      -1.023800    


%chk=000009356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000009356

0 1
O 0.655117 -0.499035 2.098957
O -1.919581 -1.084850 0.889763
O -0.798676 2.468684 1.498908
O -3.990069 0.864805 0.876587
O -2.038932 -0.030648 -2.218979
O 1.738215 1.372855 1.233373
O -5.543375 0.800459 -1.435777
O -4.292722 0.948641 -3.389221
N 3.503208 -0.523080 -0.207682
C 3.032320 -1.234072 -1.438998
C 4.973583 -0.336316 -0.023768
C -1.651753 0.331360 0.587630
C -1.307740 1.146838 1.865900
C -2.900309 0.906041 -0.094358
C 2.761241 -0.890333 0.999544
C -0.368351 0.367260 2.804043
C -3.221075 0.050950 -1.368214
C 3.839528 -0.829184 -2.692531
C 1.535030 -0.936397 -1.690120
C 5.269609 0.744045 1.041161
C 5.742003 -1.656061 0.277206
C 1.697879 0.134294 1.417945
C -4.371585 0.628218 -2.181086
H 3.141079 -2.343895 -1.308753
H 5.346532 0.063885 -0.982341
H -0.816663 0.421897 -0.134731
H -2.241268 1.340048 2.423145
H -2.669107 1.950360 -0.395241
H 2.262183 -1.879208 0.922745
H 3.442877 -0.972641 1.869837
H -0.925870 -0.376125 3.391613
H 0.171618 1.065945 3.467439
H -3.480430 -0.963551 -1.009350
H 3.375524 -1.289385 -3.583104
H 4.890257 -1.166783 -2.658370
H 3.821964 0.268266 -2.824228
H 1.382714 0.145772 -1.850059
H 0.887299 -1.256326 -0.854726
H 1.181946 -1.477043 -2.586377
H 5.070857 0.388935 2.070581
H 4.646369 1.635685 0.858252
H 6.335807 1.032670 0.999261
H 5.417689 -2.096845 1.239447
H 5.575121 -2.408271 -0.515800
H 6.829702 -1.468412 0.346636
H -1.045637 -1.520574 1.061641
H 0.174219 2.366084 1.284272
H -4.849844 1.039877 0.411763
H -2.264773 0.361121 -3.106577
H -6.262528 1.184542 -2.007259


