%chk=000088821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088821

0 1
 S    6.126900      0.8216000      0.9040000    
 S    7.867000      0.1276000     -3.3000000E-02
 O   -7.672200      0.5119000      0.7570000    
 O    9.076200      0.8650000      0.7740000    
 O    7.961000      -1.296400      0.2260000    
 O    7.861200      0.6369000      -1.390800    
 N    2.409000     -0.3294000     -0.2418000    
 C   -1.395300     -0.2972000     -7.8800000E-02
 C   4.9999999E-03 -0.6865000     -0.5577000    
 C   -2.478200      -1.005500     -0.8959000    
 C    1.084000      4.8500001E-02  0.2355000    
 C   -3.862000     -0.6017000     -0.4554000    
 C    3.448300      0.3563000      0.5131000    
 C   -4.512800      -1.320500      0.5473000    
 C   -4.491700      0.4913000      -1.050800    
 C    4.819600     -2.6500000E-02 -2.9200001E-02
 C   -5.793300     -0.9463000      0.9547000    
 C   -5.772100      0.8654000     -0.6436000    
 C   -6.423000      0.1466000      0.3591000    
 C   -8.257600       1.638800      0.1063000    
 H   -1.520400      0.7901000     -0.1602000    
 H   -1.504300     -0.5488000      0.9838000    
 H   0.1391000      -1.770700     -0.4533000    
 H   0.1032000     -0.4500000      -1.624800    
 H   -2.355500     -0.7795000      -1.962900    
 H   -2.367500      -2.093700     -0.8060000    
 H   0.9822000     -0.2035000       1.297900    
 H   0.9382000       1.130700      0.1308000    
 H    2.494400     -0.1039000      -1.232600    
 H    3.378200      7.7200003E-02   1.571900    
 H    3.310200       1.442500      0.4371000    
 H   -4.031800      -2.172600       1.020000    
 H   -3.993000       1.059700      -1.831600    
 H    4.977500      -1.107500      5.1199999E-02
 H    4.909400      0.2520000      -1.084800    
 H   -6.295100      -1.509600       1.736700    
 H   -6.202400       1.724200      -1.147400    
 H   -9.249400       1.786700      0.5460000    
 H   -8.406300       1.453600     -0.9629000    
 H   -7.685200       2.553700      0.2934000    
 H    9.985900      0.6497000      0.4603000    


%chk=000088821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088821

0 1
S 5.581319 -1.427051 -0.614248
S 3.889755 -1.601437 1.300668
O -6.530410 -0.174315 1.984386
O 3.932918 0.099496 2.157871
O 2.416457 -1.613461 0.619445
O 4.289798 -2.706310 2.415283
N 2.987048 1.685258 -1.653346
C -0.617179 0.616415 -0.605728
C 0.753214 0.481991 -1.301734
C -1.527714 -0.620599 -0.860764
C 1.685390 1.687069 -0.976640
C -2.867611 -0.516281 -0.151791
C 4.159240 1.030744 -1.094072
C -2.992759 -0.871012 1.220878
C -4.020226 -0.030538 -0.815356
C 4.360537 -0.433349 -1.629421
C -4.216450 -0.746950 1.901059
C -5.261748 0.103724 -0.151542
C -5.357542 -0.256807 1.215351
C -7.739587 0.318845 1.322512
H -1.141152 1.531001 -0.951386
H -0.467448 0.729665 0.486537
H 1.247272 -0.445639 -0.956771
H 0.613348 0.407479 -2.400562
H -1.680968 -0.729657 -1.952567
H -0.983045 -1.522507 -0.519651
H 1.870892 1.709500 0.113559
H 1.157712 2.626159 -1.243142
H 2.990264 1.893668 -2.654504
H 4.048127 1.013380 0.003997
H 5.078675 1.605081 -1.321519
H -2.118075 -1.258445 1.757546
H -3.952496 0.244372 -1.875552
H 3.408696 -0.992304 -1.671156
H 4.797670 -0.400188 -2.644633
H -4.318183 -1.026428 2.954228
H -6.131036 0.477618 -0.701230
H -8.519735 0.299668 2.097577
H -8.034438 -0.337308 0.480239
H -7.603951 1.354901 0.955081
H 4.420819 -0.025247 3.023700


