%chk=000002622.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002622

0 1
 S   -1.358900     -2.0999999E-03  -2.427000    
 S    4.786800       3.073600       1.497700    
 O  -0.2960000      -3.486700      0.4637000    
 O   -3.747100      -3.339500      0.5128000    
 O   -3.226300      -1.964300       2.265300    
 O    2.675500      0.1774000      -2.100600    
 O    5.995200      -1.154600      0.5916000    
 N   -5.048200       1.320300      0.4209000    
 N   -1.316500      -1.477700     -0.2235000    
 N    1.896200      -1.329400     -0.4781000    
 N    4.828600      -1.442200     -0.1306000    
 N    5.799500       1.417100     -0.2091000    
 N    7.107900       3.337600      0.2269000    
 C   -6.434000       1.404300       1.093100    
 C   -5.061600       2.378600     -0.7012000    
 C   -4.820700     -6.5800004E-02 -0.1627000    
 C   -7.274200       2.228800      0.1380000    
 C   -6.282300       3.229800     -0.4119000    
 C   -3.951800       1.625100       1.430000    
 C   -3.364900     -0.3316000     -0.4678000    
 C  -0.5124000     -0.4814000     -0.9042000    
 C   0.5661000      -1.581200      -1.030900    
 C   -2.627900      -1.320400      8.9000002E-02
 C   -2.834600      0.6121000      -1.544200    
 C  -0.3548000      -2.415100     -9.2100002E-02
 C   -3.266700      -2.310800       1.056000    
 C    2.805500     -0.4749000      -1.077300    
 C    4.107800     -0.3792000     -0.3253000    
 C    4.588400      0.8998000      0.2075000    
 C    3.895400       1.655500       1.129800    
 C    6.006900       2.560500      0.4055000    
 C    6.719300      -2.363700      0.7587000    
 H   -6.318100       1.918600       2.053600    
 H   -6.837700      0.4022000       1.264300    
 H   -5.204000       1.884800      -1.665800    
 H   -4.141900       2.969000     -0.6849000    
 H   -5.197800     -0.7765000      0.5795000    
 H   -5.450900     -0.1782000      -1.053100    
 H   -7.669500       1.597200     -0.6663000    
 H   -8.118500       2.708900      0.6408000    
 H   -6.048000       3.991500      0.3412000    
 H   -6.652900       3.739000      -1.306100    
 H   -3.954200      0.8396000       2.191600    
 H   -2.975700       1.714500      0.9526000    
 H   -4.186900       2.586800       1.898900    
 H  -0.2353000      0.3540000     -0.2494000    
 H   0.6473000      -2.049000      -2.021400    
 H   -2.558900       1.584900      -1.137700    
 H   -3.576000      0.7402000      -2.336300    
 H    2.182400      -1.794500      0.3805000    
 H    2.939700       1.453300       1.593000    
 H    6.123600      -3.089600       1.320700    
 H    6.998300      -2.778000     -0.2152000    
 H    7.630700      -2.146500       1.321800    
 H    7.229100       4.214800      0.7223000    
 H    7.852500       3.071300     -0.4088000    


%chk=000002622-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002622

0 1
S -0.934275 1.859547 -2.078236
S 7.714385 1.360703 -2.514093
O -0.055269 -2.663360 -0.417409
O -3.076031 -2.686726 -1.418594
O -4.225253 -1.886299 0.463826
O 3.263747 0.496002 -2.350580
O 5.428359 -0.659172 1.768781
N -5.604628 0.920191 0.378517
N -1.196023 -0.484611 -0.554001
N 2.129985 -0.263646 -0.470314
N 4.306667 -0.480641 0.904297
N 6.945485 0.751321 -0.008523
N 9.219164 1.484945 -0.134498
C -6.765443 -0.089114 0.458311
C -6.333086 2.266850 0.367389
C -4.751448 0.646654 -0.968845
C -7.777293 0.550357 1.432688
C -7.521019 2.097180 1.348841
C -4.732190 0.787194 1.619237
C -3.265734 0.711069 -0.831325
C -0.281966 0.677656 -0.772548
C 0.856973 -0.339038 -1.135516
C -2.586002 -0.481150 -0.597230
C -2.574054 2.035650 -1.085567
C -0.140367 -1.457735 -0.670383
C -3.344055 -1.836429 -0.505484
C 3.281749 0.119701 -1.138075
C 4.554216 0.047679 -0.292641
C 5.828699 0.526606 -0.849597
C 6.039783 0.798492 -2.203260
C 7.993652 1.179653 -0.678844
C 4.946467 -1.305241 3.010104
H -6.335012 -1.064028 0.740062
H -7.183895 -0.164523 -0.561007
H -6.688309 2.435720 -0.663600
H -5.626407 3.066939 0.639025
H -5.078426 -0.357092 -1.274581
H -5.136025 1.397174 -1.682482
H -8.807689 0.289303 1.141257
H -7.626950 0.182364 2.460984
H -7.282012 2.511742 2.342053
H -8.404111 2.639723 0.972713
H -4.304992 -0.235570 1.581656
H -3.940118 1.549610 1.581371
H -5.360148 0.936424 2.511694
H -0.093925 1.244794 0.154568
H 1.018670 -0.368657 -2.228696
H -2.288454 2.576094 -0.161478
H -3.201214 2.711814 -1.693219
H 2.258827 -0.605608 0.489348
H 5.316235 0.720405 -3.009475
H 4.224189 -0.652713 3.531211
H 4.483973 -2.281745 2.784853
H 5.855386 -1.437558 3.617193
H 9.991023 1.820065 -0.701705
H 9.341688 1.359236 0.867627


