%chk=000026555.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026555

0 1
 S    4.787300      -1.087000      0.6559000    
 O    5.550100      -2.036300     -0.1441000    
 O    4.790200      -1.198100       2.107800    
 O   -3.164700      -1.112100      -1.083100    
 O   -2.067500     -0.4823000      0.8575000    
 O   -7.644400       2.417300      0.5497000    
 O   -5.931700       2.999600     -0.6939000    
 N  -0.8994000      -1.264900      -1.020200    
 N   -6.565300       2.144600     -2.9400000E-02
 C    3.113100      -1.139500      0.1623000    
 C    5.447900      0.5030000      0.2343000    
 C    2.776200      -1.585000      -1.115800    
 C    2.112600     -0.7357000       1.046300    
 C   0.4382000      -1.223300     -0.6257000    
 C    1.438800      -1.626900      -1.509800    
 C   0.7751000     -0.7777000      0.6524000    
 C    5.366000       1.529500       1.155600    
 C    6.029200      0.6802000      -1.006600    
 C    5.885300       2.780700      0.8236000    
 C    6.548500       1.931600      -1.338700    
 C    6.476600       2.981900     -0.4237000    
 C   -2.031800     -0.9082000     -0.2913000    
 C   -4.366800     -0.7844000     -0.4474000    
 C   -4.846100      0.5005000     -0.5638000    
 C   -6.044600      0.8270000      7.0699997E-02
 C   -5.021300      -1.760500      0.2691000    
 C   -6.731500     -0.1401000      0.8046000    
 C   -6.219700      -1.433900      0.9037000    
 H    3.539800      -1.898100      -1.822300    
 H    2.351900     -0.3770000       2.043600    
 H    1.190600      -1.975000      -2.509400    
 H   5.6400001E-02 -0.4475000       1.389600    
 H    4.902900       1.393600       2.127900    
 H    6.086700     -0.1206000      -1.737000    
 H    5.827500       3.599100       1.535300    
 H    7.006700       2.089000      -2.310800    
 H   -1.073000      -1.599700      -1.965000    
 H    6.879900       3.956500     -0.6827000    
 H   -4.284800       1.227600      -1.143900    
 H   -4.623000      -2.767300      0.3457000    
 H   -7.667600      7.8199998E-02   1.312200    
 H   -6.754100      -2.187400       1.474900    


%chk=000026555-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026555

0 1
S 5.026886 -1.412813 -0.034872
O 5.540664 -2.090797 -1.435761
O 5.228560 -2.101743 1.437580
O -3.184929 -0.380439 -0.565854
O -1.878680 -0.577491 1.421725
O -9.071797 0.638952 -0.986375
O -7.516125 0.723583 -2.651895
N -0.971384 -0.629338 -0.766542
N -7.861950 0.537237 -1.422319
C 3.168657 -1.123953 -0.238141
C 5.814370 0.314874 0.055447
C 2.644615 -1.054399 -1.538925
C 2.368802 -1.067361 0.912864
C 0.419357 -0.799345 -0.536160
C 1.255457 -0.884645 -1.683892
C 0.976540 -0.898096 0.767886
C 5.973758 0.900250 1.321018
C 6.261461 0.894675 -1.141796
C 6.593092 2.170864 1.379914
C 6.878655 2.165169 -1.062258
C 7.036211 2.800828 0.192477
C -1.977531 -0.537314 0.176469
C -4.472162 -0.265456 0.021602
C -5.475697 0.070511 -0.909035
C -6.799035 0.183196 -0.444108
C -4.777713 -0.485585 1.387608
C -7.150283 -0.026341 0.907139
C -6.121512 -0.360389 1.809912
H 3.302292 -1.162037 -2.407345
H 2.822650 -1.182876 1.902745
H 0.818287 -0.829081 -2.688010
H 0.326590 -0.851002 1.643290
H 5.653487 0.367996 2.222880
H 6.157552 0.356882 -2.090107
H 6.736430 2.659915 2.349044
H 7.242441 2.649813 -1.974236
H -1.284944 -0.571719 -1.738443
H 7.518098 3.783066 0.246714
H -5.239542 0.238919 -1.961960
H -3.987932 -0.736379 2.096211
H -8.192439 0.072507 1.219265
H -6.361055 -0.529235 2.864347


