%chk=000012892.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012892

0 1
 S   0.9132000      -2.089800      8.6000003E-02
 S  -0.5093000      -1.302400       1.352700    
 S   0.7708000     -5.2499998E-02  -2.137500    
 S   -2.590400      -2.832900     -0.2101000    
 O    4.985200       1.113300      0.4736000    
 O   -4.304400       1.958100     -3.8999999E-03
 N    2.509900     -4.6399999E-02 -0.1286000    
 N   -2.525700     -0.1988000      0.1326000    
 C    3.501500     -0.7979000      0.6283000    
 C    2.643600       1.403200     -8.6800002E-02
 C   -2.403400      0.9061000       1.073500    
 C   -3.209000      0.1040000      -1.117500    
 C    4.900800     -0.3040000      0.2878000    
 C    4.079900       1.803700     -0.3951000    
 C   -3.754800       1.581200       1.263700    
 C   -4.526300      0.8119000     -0.8329000    
 C    1.469100     -0.6533000     -0.7480000    
 C   -1.950700      -1.403700      0.3623000    
 H    3.471400      -1.871900      0.4270000    
 H    3.290600     -0.6275000       1.690700    
 H    2.400100       1.694800      0.9429000    
 H    1.946800       1.934500     -0.7380000    
 H   -1.685800       1.614700      0.6430000    
 H   -2.052100      0.6016000       2.062200    
 H   -3.367300     -0.7633000      -1.761200    
 H   -2.547000      0.7883000      -1.662600    
 H    5.637900     -0.7741000      0.9462000    
 H    5.170700     -0.5472000     -0.7468000    
 H    4.342000       1.584600      -1.437000    
 H    4.214200       2.877700     -0.2336000    
 H   -4.462800      0.9217000       1.779900    
 H   -3.642400       2.488800       1.864800    
 H   -4.977800       1.157600      -1.768000    
 H   -5.242400      0.1434000     -0.3403000    


%chk=000012892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012892

0 1
S 0.949815 -0.686584 -2.086074
S -0.215749 -2.202626 -0.494746
S 1.464795 2.234637 -2.028948
S -2.289679 -2.911034 1.314404
O 4.634950 0.488911 1.646086
O -3.823999 1.908591 -0.462907
N 2.227571 0.593105 0.044619
N -2.672526 -0.744008 -0.350913
C 2.688412 -0.697645 0.621710
C 2.667016 1.765360 0.851607
C -2.381114 0.165825 -1.492575
C -4.003096 -0.464906 0.262893
C 4.221428 -0.652493 0.818412
C 4.198806 1.746897 1.018138
C -2.494915 1.633120 -1.034894
C -4.073569 1.018575 0.679179
C 1.619625 0.749799 -1.167283
C -1.891649 -1.754731 0.094699
H 2.423282 -1.523079 -0.055253
H 2.178743 -0.860268 1.588877
H 2.186478 1.688579 1.845694
H 2.335596 2.686761 0.344527
H -3.131642 -0.036331 -2.281193
H -1.377419 -0.030141 -1.899435
H -4.145328 -1.129493 1.130989
H -4.783727 -0.685857 -0.489815
H 4.559462 -1.551456 1.358740
H 4.722985 -0.605413 -0.172097
H 4.689185 1.874269 0.030096
H 4.525295 2.549260 1.698920
H -1.701447 1.862886 -0.293072
H -2.388863 2.310238 -1.896091
H -5.085712 1.266531 1.037669
H -3.336909 1.216222 1.487335


