%chk=000111827.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111827

0 1
 S    1.073900       1.668600      -2.028700    
 S    2.963200      -2.947800     -0.1254000    
 O   -1.596200       1.867500      -1.409100    
 O    2.489800       1.619300      -2.359200    
 O   0.1003000       1.832100      -3.096600    
 O   -2.277200      -2.749500       1.188600    
 O    2.644000      -4.225300      -1.091200    
 O    4.120500      -2.267500     -0.6826000    
 O    2.957900      -3.405800       1.253000    
 N   0.8385000       2.882400     -0.8321000    
 N   0.1950000      -3.452600      0.8872000    
 C  -0.5716000     -0.1353000     -0.6399000    
 C  -0.7525000      -1.341500      3.9999999E-02
 C   0.6884000      0.1945000      -1.153800    
 C   0.3264000      -2.218100      0.2059000    
 C    1.580300      -1.885700     -0.3079000    
 C   -1.701500      0.7987000     -0.8225000    
 C    1.760900     -0.6820000     -0.9863000    
 C   -3.025400      0.4381000     -0.2754000    
 C   -2.076500      -1.702100      0.5869000    
 C   -3.206200     -0.7681000      0.4045000    
 C   -4.104600       1.314300     -0.4420000    
 C   -4.466200      -1.098200      0.9178000    
 C   -5.358600      0.9813000      7.1099997E-02
 C   -5.539000     -0.2222000      0.7497000    
 C    1.507200       2.731100      0.4321000    
 C    2.899700       2.666700      0.4808000    
 C   0.7636000       2.648600       1.609200    
 C    3.548600       2.519700       1.706900    
 C    1.412300       2.501700       2.835200    
 C    2.805000       2.437200       2.884000    
 H    2.741800     -0.4437000      -1.381100    
 H  -0.1039000       3.290100     -0.7754000    
 H   -3.993400       2.259600     -0.9664000    
 H   -4.635700      -2.029900       1.450900    
 H   0.9729000      -4.090500      0.9736000    
 H  -0.6958000      -3.730400       1.273900    
 H   -6.195400       1.661600     -5.8499999E-02
 H   -6.516300     -0.4789000       1.148200    
 H    3.506100       2.761500     -0.4141000    
 H  -0.3220000       2.696500       1.583300    
 H    3.316000      -4.946500      -1.071100    
 H    4.633100       2.476800       1.745900    
 H   0.8332000       2.437200       3.751700    
 H    3.310200       2.324200       3.838700    


%chk=000111827-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111827

0 1
S 1.102884 1.596073 -1.772836
S 2.859806 -3.344033 -0.063715
O -1.529295 1.911157 -0.610248
O 2.692485 1.340006 -2.019903
O 0.117229 1.806101 -3.037501
O -2.656916 -3.209722 0.962374
O 2.626658 -4.051744 -1.758354
O 4.242358 -2.517161 -0.018744
O 2.589567 -4.528359 1.021880
N 1.008083 3.216012 -0.674911
N -0.139369 -3.862219 0.799451
C -0.724455 -0.350154 -0.396063
C -0.996990 -1.658207 0.123772
C 0.584394 -0.025553 -0.813894
C 0.082031 -2.629730 0.274086
C 1.384782 -2.189783 -0.148478
C -1.813068 0.685572 -0.421525
C 1.646508 -0.938818 -0.694925
C -3.206872 0.255611 -0.171619
C -2.378801 -2.045432 0.488934
C -3.480166 -1.067488 0.273848
C -4.268138 1.176730 -0.355876
C -4.816181 -1.456924 0.535165
C -5.595857 0.778782 -0.104455
C -5.869185 -0.539553 0.342641
C 1.802215 3.202826 0.500806
C 3.220315 3.269689 0.378460
C 1.202288 3.185115 1.795303
C 4.017088 3.325790 1.538588
C 2.009603 3.279940 2.946599
C 3.418994 3.339852 2.823111
H 2.649191 -0.648789 -1.038853
H -0.015324 3.262582 -0.500167
H -4.029299 2.187616 -0.699604
H -5.001513 -2.476370 0.885919
H 0.653890 -4.493962 0.975768
H -1.115707 -4.083801 1.055835
H -6.417455 1.486343 -0.255291
H -6.901871 -0.845642 0.539496
H 3.665262 3.281398 -0.620046
H 0.110516 3.120443 1.885217
H 3.424054 -4.620135 -1.971106
H 5.107062 3.372244 1.442655
H 1.544437 3.293066 3.938340
H 4.045561 3.398336 3.719665


